Linker_ID Linker_Name mw mf polararea complexity xlogp heavycnt hbonddonor hbondacc rotbonds inchi isosmiles canonicalsmiles inchikey iupacname
LIN00001 FFE 441.5 C23H27N3O6 159 644 -2.5 32 5 7 12 "InChI=1S/C23H27N3O6/c24-17(13-15-7-3-1-4-8-15)21(29)26-19(14-16-9-5-2-6-10-16)22(30)25-18(23(31)32)11-12-20(27)28/h1-10,17-19H,11-14,24H2,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1" C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)O)N RYQWALWYQWBUKN-FHWLQOOXSA-N (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
LIN00002 GFLG 392.4 C19H28N4O5 151 546 -1.9 28 5 6 11 "InChI=1S/C19H28N4O5/c1-12(2)8-14(18(27)21-11-17(25)26)23-19(28)15(22-16(24)10-20)9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,20H2,1-2H3,(H,21,27)(H,22,24)(H,23,28)(H,25,26)/t14-,15-/m0/s1" CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN WEZDRVHTDXTVLT-GJZGRUSLSA-N 2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
LIN00003 Succinic Acid 118.09 C4H6O4 74.6 92.6 -0.6 8 2 4 3 "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)" C(CC(=O)O)C(=O)O C(CC(=O)O)C(=O)O KDYFGRWQOYBRFD-UHFFFAOYSA-N butanedioic acid
LIN00004 Glycylglycylglycine 189.17 C6H11N3O4 122 216 -3.6 13 4 5 5 "InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)" C(C(=O)NCC(=O)NCC(=O)O)N C(C(=O)NCC(=O)NCC(=O)O)N XKUKSGPZAADMRA-UHFFFAOYSA-N 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid
LIN00005 Val-Cit 274.32 C11H22N4O4 148 333 -4.3 19 5 5 8 "InChI=1S/C11H22N4O4/c1-6(2)8(12)9(16)15-7(10(17)18)4-3-5-14-11(13)19/h6-8H,3-5,12H2,1-2H3,(H,15,16)(H,17,18)(H3,13,14,19)/t7-,8?/m0/s1" CC(C)C(C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)N CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)O)N AGGWFDNPHKLBBV-JAMMHHFISA-N (2S)-2-[(2-amino-3-methylbutanoyl)amino]-5-(carbamoylamino)pentanoic acid
LIN00006 Gamma-Aminobutyric Acid 103.12 C4H9NO2 63.3 62.7 -3.2 7 2 3 3 "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" C(CC(=O)O)CN C(CC(=O)O)CN BTCSSZJGUNDROE-UHFFFAOYSA-N 4-aminobutanoic acid
LIN00007 Tetraxetan 404.42 C16H28N4O8 162 447 -10.6 28 4 12 8 "InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)" C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O WDLRUFUQRNWCPK-UHFFFAOYSA-N "2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"
LIN00008 Mc-Vc-PABC 650.7 C29H42N6O9S 227 1070 0.8 45 7 10 19 "InChI=1S/C29H42N6O9S/c1-17(2)24(34-22(36)8-4-3-5-14-35-23(37)15-21(45)27(35)40)26(39)33-20(7-6-13-31-28(30)41)25(38)32-19-11-9-18(10-12-19)16-44-29(42)43/h9-12,17,20-21,24,45H,3-8,13-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,36)(H,42,43)(H3,30,31,41)/t20-,21?,24?/m0/s1" CC(C)C(C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)O)NC(=O)CCCCCN2C(=O)CC(C2=O)S CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)O)NC(=O)CCCCCN2C(=O)CC(C2=O)S LEBKZSAGLVOOHK-MFMCRYCZSA-N "[4-[[(2S)-5-(carbamoylamino)-2-[[2-[6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl hydrogen carbonate"
LIN00009 "2,2-Dipyridyl disulfide" 151.3 C4H9NOS2 69.4 76.4 0.2 8 2 3 4 "InChI=1S/C4H9NOS2/c5-4(6)2-1-3-8-7/h7H,1-3H2,(H2,5,6)" C(CC(=O)N)CSS C(CC(=O)N)CSS AUDHCWSPRRYIGS-UHFFFAOYSA-N 4-(disulfanyl)butanamide
LIN00010 CDM 202.16 C8H10O6 112 301 -0.3 14 3 6 5 "InChI=1S/C8H10O6/c1-4(7(11)12)5(8(13)14)2-3-6(9)10/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)/b5-4-" C/C(=C(\CCC(=O)O)/C(=O)O)/C(=O)O CC(=C(CCC(=O)O)C(=O)O)C(=O)O GDSOZVZXVXTJMI-PLNGDYQASA-N "(Z)-1-methylbut-1-ene-1,2,4-tricarboxylic acid"
LIN00011 PSMA-I&T Linker 738.6 C32H43IN4O8 208 948 1.2 45 7 9 21 "InChI=1S/C32H43IN4O8/c33-23-18-22(15-16-27(23)38)19-24(34)30(42)37-26(20-21-10-4-3-5-11-21)31(43)36-25(32(44)45)12-8-9-17-35-28(39)13-6-1-2-7-14-29(40)41/h3-5,10-11,15-16,18,24-26,38H,1-2,6-9,12-14,17,19-20,34H2,(H,35,39)(H,36,43)(H,37,42)(H,40,41)(H,44,45)" C1=CC=C(C=C1)CC(C(=O)NC(CCCCNC(=O)CCCCCCC(=O)O)C(=O)O)NC(=O)C(CC2=CC(=C(C=C2)O)I)N C1=CC=C(C=C1)CC(C(=O)NC(CCCCNC(=O)CCCCCCC(=O)O)C(=O)O)NC(=O)C(CC2=CC(=C(C=C2)O)I)N NNCBWVSCMSFHCU-UHFFFAOYSA-N 8-[[5-[[2-[[2-amino-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carboxypentyl]amino]-8-oxooctanoic acid
LIN00012 3-Disulfanylpropanoic Acid 138.21 C3H6O2S2 63.6 64 0.5 7 2 4 3 "InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)" C(CSS)C(=O)O C(CSS)C(=O)O CXXDUKKBFUFJDF-UHFFFAOYSA-N 3-(disulfanyl)propanoic acid
LIN00013 b-Thiosuccinimide 131.16 C4H5NO2S 47.2 145 -0.6 8 2 3 0 "InChI=1S/C4H5NO2S/c6-3-1-2(8)4(7)5-3/h2,8H,1H2,(H,5,6,7)" C1C(C(=O)NC1=O)S C1C(C(=O)NC1=O)S PCLITYPZCQBLAC-UHFFFAOYSA-N "3-sulfanylpyrrolidine-2,5-dione"
LIN00014 GABA 147.13 C5H9NO4 86.6 134 -0.5 10 3 4 4 "InChI=1S/C5H9NO4/c7-4(8)2-1-3-6-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10)" C(CC(=O)O)CNC(=O)O C(CC(=O)O)CNC(=O)O YFQWAQOGQLLCFA-UHFFFAOYSA-N 4-(carboxyamino)butanoic acid
LIN00015 "(Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(4-nitrophenyl) dicarbonate" 238.19 C8H14O8 112 182 -0.1 16 2 8 11 "InChI=1S/C8H14O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2,(H,9,10)(H,11,12)" C(COCCOC(=O)O)OCCOC(=O)O C(COCCOC(=O)O)OCCOC(=O)O CTVKFDPYSMGNCE-UHFFFAOYSA-N 2-[2-(2-carboxyoxyethoxy)ethoxy]ethyl hydrogen carbonate
LIN00016 LRRY 606.7 C27H46N10O6 300 960 -5.3 43 10 9 19 "InChI=1S/C27H46N10O6/c1-15(2)13-18(28)22(39)35-19(5-3-11-33-26(29)30)23(40)36-20(6-4-12-34-27(31)32)24(41)37-21(25(42)43)14-16-7-9-17(38)10-8-16/h7-10,15,18-21,38H,3-6,11-14,28H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H4,29,30,33)(H4,31,32,34)" CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N LOWZEPRHTVWNNP-UHFFFAOYSA-N 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
LIN00017 PEG2 265.3 C11H23NO6 100 190 -4.1 18 2 7 14 "InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)" C(COCCOCCOCCOCCN)C(=O)O C(COCCOCCOCCOCCN)C(=O)O DKUZHSDZSMQOGQ-UHFFFAOYSA-N 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
LIN00018 Carbamic acid 61.04 CH3NO2 63.3 33 -0.8 4 2 2 0 "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)" C(=O)(N)O C(=O)(N)O KXDHJXZQYSOELW-UHFFFAOYSA-N carbamic acid
LIN00019 Aminooxyacetic acid 91.07 C2H5NO3 72.6 52.8 -3.4 6 2 4 2 "InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)" C(C(=O)O)ON C(C(=O)O)ON NQRKYASMKDDGHT-UHFFFAOYSA-N 2-aminooxyacetic acid
LIN00020 Dimethyl disulfide 168.21 C8H8O2S 38.3 147 1.6 11 2 3 2 "InChI=1S/C8H8O2S/c9-8(10)5-6-3-1-2-4-7(6)11/h1-4,11H,5H2,(H,9,10)" C1=CC=C(C(=C1)CC(=O)O)S C1=CC=C(C(=C1)CC(=O)O)S QUCMZSJETXEAMC-UHFFFAOYSA-N 2-(2-sulfanylphenyl)acetic acid
LIN00021 GSHG 231.25 C10H17NO5 104 252 -0.5 16 3 5 9 "InChI=1S/C10H17NO5/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)" C(CCC(=O)O)CCNC(=O)CCC(=O)O C(CCC(=O)O)CCNC(=O)CCC(=O)O MFPUVZGABREEIK-UHFFFAOYSA-N 6-(3-carboxypropanoylamino)hexanoic acid
LIN00022 SPDP 181.3 C5H11NO2S2 114 99.6 -2.8 10 2 5 6 "InChI=1S/C5H11NO2S2/c6-2-4-10-9-3-1-5(7)8/h1-4,6H2,(H,7,8)" C(CSSCCN)C(=O)O C(CSSCCN)C(=O)O HMMFDEBVQNRZLJ-UHFFFAOYSA-N 3-(2-aminoethyldisulfanyl)propanoic acid
LIN00023 Alkyne-Triazole 155.15 C6H9N3O2 78.9 140 -0.3 11 2 4 4 "InChI=1S/C6H9N3O2/c10-6(11)3-1-2-5-4-7-9-8-5/h4H,1-3H2,(H,10,11)(H,7,8,9)" C1=NNN=C1CCCC(=O)O C1=NNN=C1CCCC(=O)O JJYUJRZNPOGWAM-UHFFFAOYSA-N 4-(2H-triazol-4-yl)butanoic acid
LIN00024 "3-(1H-1,2,3-Triazol-4-yl)propanoic acid" 141.13 C5H7N3O2 78.9 128 -0.6 10 2 4 3 "InChI=1S/C5H7N3O2/c9-5(10)2-1-4-3-6-8-7-4/h3H,1-2H2,(H,9,10)(H,6,7,8)" C1=NNN=C1CCC(=O)O C1=NNN=C1CCC(=O)O JYKLORHRQMBGDN-UHFFFAOYSA-N 3-(2H-triazol-4-yl)propanoic acid
LIN00025 NODAGA 276.24 C10H16N2O7 167 369 -4.3 19 5 8 9 "InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)" C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C(=O)O)N C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C(=O)O)N OWQDWQKWSLFFFR-UHFFFAOYSA-N 2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
LIN00026 Aminocaproic acid 131.17 C6H13NO2 63.3 83.1 -3 9 2 3 5 "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)" C(CCC(=O)O)CCN C(CCC(=O)O)CCN SLXKOJJOQWFEFD-UHFFFAOYSA-N 6-aminohexanoic acid
LIN00027 (4-Aminophenyl)methyl hydrogen carbonate 167.16 C8H9NO3 72.6 152 1.4 12 2 4 3 "InChI=1S/C8H9NO3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)" C1=CC(=CC=C1COC(=O)O)N C1=CC(=CC=C1COC(=O)O)N RUDRNCYNVWQMEJ-UHFFFAOYSA-N (4-aminophenyl)methyl hydrogen carbonate
LIN00028 Val-Ala 188.22 C8H16N2O3 92.4 204 -3.8 13 3 4 4 "InChI=1S/C8H16N2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1" C[C@@H](C(=O)O)NC(=O)C(C(C)C)N CC(C)C(C(=O)NC(C)C(=O)O)N HSRXSKHRSXRCFC-ZBHICJROSA-N (2S)-2-[(2-amino-3-methylbutanoyl)amino]propanoic acid
LIN00029 Cystine 240.3 C6H12N2O4S2 177 192 -6.3 14 4 8 7 "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N C(C(C(=O)O)N)SSCC(C(=O)O)N LEVWYRKDKASIDU-IMJSIDKUSA-N (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid
LIN00030 12-Aminododecanoic acid 215.33 C12H25NO2 63.3 149 -0.5 15 2 3 11 "InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)" C(CCCCCC(=O)O)CCCCCN C(CCCCCC(=O)O)CCCCCN PBLZLIFKVPJDCO-UHFFFAOYSA-N 12-aminododecanoic acid
LIN00031 "4-yl 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate" 245.3 C10H15NO4S 75.7 305 0.1 16 2 5 6 "InChI=1S/C10H15NO4S/c12-8-6-7(16)10(15)11(8)5-3-1-2-4-9(13)14/h7,16H,1-6H2,(H,13,14)" C1C(C(=O)N(C1=O)CCCCCC(=O)O)S C1C(C(=O)N(C1=O)CCCCCC(=O)O)S WCUXBNLBBGRJCW-UHFFFAOYSA-N "6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanoic acid"
LIN00032 4-Methyl-3-nitrobenzoic acid 181.15 C8H7NO4 83.1 223 1.9 13 1 4 1 "InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)" CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] BBEWSMNRCUXQRF-UHFFFAOYSA-N 4-methyl-3-nitrobenzoic acid
LIN00033 Glutaric acid 132.11 C5H8O4 74.6 104 -0.3 9 2 4 4 "InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)" C(CC(=O)O)CC(=O)O C(CC(=O)O)CC(=O)O JFCQEDHGNNZCLN-UHFFFAOYSA-N pentanedioic acid
LIN00034 "3,6,9-Trioxaundecanedioic acid" 222.19 C8H14O7 102 171 -1 15 2 7 10 "InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)" C(COCC(=O)O)OCCOCC(=O)O C(COCC(=O)O)OCCOCC(=O)O HJZZQNLKBWJYPD-UHFFFAOYSA-N 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid
LIN00035 4-(Disulfanyl)butanoic acid 152.2 C4H8O2S2 63.6 74.4 0.8 8 2 4 4 "InChI=1S/C4H8O2S2/c5-4(6)2-1-3-8-7/h7H,1-3H2,(H,5,6)" C(CC(=O)O)CSS C(CC(=O)O)CSS NPNLDKQOMINEPE-UHFFFAOYSA-N 4-(disulfanyl)butanoic acid
LIN00036 Py-SS 231.3 C8H9NO3S2 110 180 1.7 14 1 6 6 "InChI=1S/C8H9NO3S2/c10-8(11)12-5-6-13-14-7-3-1-2-4-9-7/h1-4H,5-6H2,(H,10,11)" C1=CC=NC(=C1)SSCCOC(=O)O C1=CC=NC(=C1)SSCCOC(=O)O FWDXLZJTNWZKHQ-UHFFFAOYSA-N 2-(pyridin-2-yldisulfanyl)ethyl hydrogen carbonate
LIN00037 Fmoc-Glu-OtBu 205.17 C7H11NO6 124 238 -2.5 14 4 6 6 "InChI=1S/C7H11NO6/c9-3-5(10)8-4(7(13)14)1-2-6(11)12/h4,9H,1-3H2,(H,8,10)(H,11,12)(H,13,14)/t4-/m0/s1" C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CO C(CC(=O)O)C(C(=O)O)NC(=O)CO QPYFKXPFVVTXMC-BYPYZUCNSA-N (2S)-2-[(2-hydroxyacetyl)amino]pentanedioic acid
LIN00038 2-[2-[2-(Carboxyamino)ethoxy]ethoxy]ethylcarbamic acid 236.22 C8H16N2O6 117 189 -1.3 16 4 6 9 "InChI=1S/C8H16N2O6/c11-7(12)9-1-3-15-5-6-16-4-2-10-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)" C(COCCOCCNC(=O)O)NC(=O)O C(COCCOCCNC(=O)O)NC(=O)O KUZDUJRNNNAXFM-UHFFFAOYSA-N 2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethylcarbamic acid
LIN00039 2-(Disulfanyl)ethyl hydrogen carbonate 154.21 C3H6O3S2 72.8 74.9 0.9 8 2 5 4 "InChI=1S/C3H6O3S2/c4-3(5)6-1-2-8-7/h7H,1-2H2,(H,4,5)" C(CSS)OC(=O)O C(CSS)OC(=O)O GIRKPUUKWCSTPG-UHFFFAOYSA-N 2-(disulfanyl)ethyl hydrogen carbonate
LIN00040 Sulfo-SMCC 271.33 C12H17NO4S 75.7 376 0.6 18 2 5 3 "InChI=1S/C12H17NO4S/c14-10-5-9(18)11(15)13(10)6-7-1-3-8(4-2-7)12(16)17/h7-9,18H,1-6H2,(H,16,17)" C1CC(CCC1CN2C(=O)CC(C2=O)S)C(=O)O C1CC(CCC1CN2C(=O)CC(C2=O)S)C(=O)O WHRFQGNUPCMDER-UHFFFAOYSA-N "4-[(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid"
LIN00041 (6-maleimidocaproyl) hydrazone derivative 301.368 C12H19N3O4S 99.07 301.1096271 -0.3016 20 3 6 8 "InChI=1S/C12H19N3O4S/c16-7-5-13-14-10(17)4-2-1-3-6-15-11(18)8-9(20)12(15)19/h5,9,16,20H,1-4,6-8H2,(H,14,17)/b13-5-" O=C(CCCCCN1C(=O)CC(S)C1=O)N/N=C\CO O=C(CCCCCN1C(=O)CC(S)C1=O)NN=CCO VWBYZCVBANWODJ-ACAGNQJTSA-N .
LIN00042 rac-(R)-2-(2-aminoacetamido)-3-(4-(2-(((R)-1-carboxy-2-phenylethyl)amino)-2-oxoethoxy)phenyl)propanoic acid 443.456 C22H25N3O7 168.05 443.1692501 -0.0519 32 5 6 12 "InChI=1S/C22H25N3O7/c23-12-19(26)24-17(21(28)29)11-15-6-8-16(9-7-15)32-13-20(27)25-18(22(30)31)10-14-4-2-1-3-5-14/h1-9,17-18H,10-13,23H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t17-,18-/m0/s1" NCC(=O)N[C@@H](Cc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1)C(=O)O NCC(=O)NC(Cc1ccc(OCC(=O)NC(Cc2ccccc2)C(=O)O)cc1)C(=O)O APHMHHAVZZCCTE-ROUUACIJSA-N .
LIN00043 2-((2-aminoethyl)sulfonyl)ethane-1-thiol 169.271 C4H11NO2S2 60.16 169.0231206 -0.7103 9 2 4 4 "InChI=1S/C4H11NO2S2/c5-1-3-9(6,7)4-2-8/h8H,1-5H2" NCCS(=O)(=O)CCS NCCS(=O)(=O)CCS WNOTXAXXJLISTQ-UHFFFAOYSA-N .
LIN00044 2-(4-(aminomethyl)benzamido)-3-(naphthalen-2-yl)propanoic acid 348.402 C21H20N2O3 92.42 348.1473925 2.7242 26 3 3 6 "InChI=1S/C21H20N2O3/c22-13-14-5-9-17(10-6-14)20(24)23-19(21(25)26)12-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,22H2,(H,23,24)(H,25,26)/t19-/m0/s1" NCc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)cc1 NCc1ccc(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)O)cc1 QZEZKYQBBMSRSY-IBGZPJMESA-N .
LIN00045 2-Aminothiolane 150.272 C4H10N2S2 49.87 150.0285403 1.28057 8 3 3 4 "InChI=1S/C4H10N2S2/c5-4(6)2-1-3-8-7/h7H,1-3H2,(H3,5,6)" N=C(N)CCCSS N=C(N)CCCSS WMMFKSXHIFHYKC-UHFFFAOYSA-N .
LIN00046 3-(3-((2-(carboxyamino)ethyl)disulfaneyl)propanamido)propanoic acid 296.37 C9H16N2O5S2 115.73 296.0500636 0.6164 18 4 5 10 "InChI=1S/C9H16N2O5S2/c12-7(10-3-1-8(13)14)2-5-17-18-6-4-11-9(15)16/h11H,1-6H2,(H,10,12)(H,13,14)(H,15,16)" O=C(O)CCNC(=O)CCSSCCNC(=O)O O=C(O)CCNC(=O)CCSSCCNC(=O)O MTVICSBYAXGEPU-UHFFFAOYSA-N .
LIN00047 AHX 605.714 C28H39N5O8S 194.57 605.2519342 0.8815 42 5 10 20 "InChI=1S/C28H39N5O8S/c34-16-14-30-32-25(38)8-4-2-6-15-33-26(39)17-23(28(33)41)42-19-21(18-35)31-24(37)7-3-1-5-13-29-27(40)20-9-11-22(36)12-10-20/h9-12,14,18,21,23,34,36H,1-8,13,15-17,19H2,(H,29,40)(H,31,37)(H,32,38)/b30-14-" O=CC(CSC1CC(=O)N(CCCCCC(=O)N/N=C\CO)C1=O)NC(=O)CCCCCNC(=O)c1ccc(O)cc1 O=CC(CSC1CC(=O)N(CCCCCC(=O)NN=CCO)C1=O)NC(=O)CCCCCNC(=O)c1ccc(O)cc1 ZTRDUNVKNZLLGZ-CPDSRJINSA-N .
LIN00048 Ahx-Val 172.228 C8H16N2O2 58.2 172.1211778 0.529 12 2 2 4 "InChI=1S/C8H16N2O2/c1-6(2)4-9-8(12)10-7(3)5-11/h5-7H,4H2,1-3H3,(H2,9,10,12)/t7-/m1/s1" CC(C)CNC(=O)N[C@H](C)C=O CC(C)CNC(=O)NC(C)C=O FUXAVZHTOUQWKK-SSDOTTSWSA-N .
LIN00049 Antitriazole 269.301 C12H19N3O4 105.31 269.1375561 1.3304 19 2 5 10 "InChI=1S/C12H19N3O4/c16-11(17)6-2-1-3-8-15-9-10(13-14-15)5-4-7-12(18)19/h9H,1-8H2,(H,16,17)(H,18,19)" O=C(O)CCCCCn1cc(CCCC(=O)O)nn1 O=C(O)CCCCCn1cc(CCCC(=O)O)nn1 RQFPTOPQPZQKHV-UHFFFAOYSA-N .
LIN00050 AOHX 607.686 C27H37N5O9S 203.8 607.2311988 -0.2722 42 5 11 20 "InChI=1S/C27H37N5O9S/c33-13-10-29-31-24(37)4-2-1-3-12-32-25(38)16-22(27(32)40)42-18-20(17-34)30-23(36)9-14-41-15-11-28-26(39)19-5-7-21(35)8-6-19/h5-8,10,17,20,22,33,35H,1-4,9,11-16,18H2,(H,28,39)(H,30,36)(H,31,37)/b29-10-" O=CC(CSC1CC(=O)N(CCCCCC(=O)N/N=C\CO)C1=O)NC(=O)CCOCCNC(=O)c1ccc(O)cc1 O=CC(CSC1CC(=O)N(CCCCCC(=O)NN=CCO)C1=O)NC(=O)CCOCCNC(=O)c1ccc(O)cc1 ABVMVUTVYZRIKY-DANHRZQXSA-N .
LIN00051 Dual headed Fmoc-12-Ado-OH 588.699 C27H48N4O10 231.46 588.3370437 0.1937 41 8 8 26 "InChI=1S/C27H48N4O10/c32-18-23(35)28-16-11-9-12-20(30-24(36)19-33)26(39)29-17-10-7-5-3-1-2-4-6-8-13-22(34)31-21(27(40)41)14-15-25(37)38/h20-21,32-33H,1-19H2,(H,28,35)(H,29,39)(H,30,36)(H,31,34)(H,37,38)(H,40,41)/t20?,21-/m0/s1" O=C(O)CC[C@H](NC(=O)CCCCCCCCCCCNC(=O)C(CCCCNC(=O)CO)NC(=O)CO)C(=O)O O=C(O)CCC(NC(=O)CCCCCCCCCCCNC(=O)C(CCCCNC(=O)CO)NC(=O)CO)C(=O)O LMDVHSFNYLJXBJ-LBAQZLPGSA-N .
LIN00052 Dual headed Fmoc-6-aminohexanol 504.537 C21H36N4O10 231.46 504.2431434 -2.1469 35 8 8 20 "InChI=1S/C21H36N4O10/c26-12-17(29)22-10-5-3-6-14(24-18(30)13-27)20(33)23-11-4-1-2-7-16(28)25-15(21(34)35)8-9-19(31)32/h14-15,26-27H,1-13H2,(H,22,29)(H,23,33)(H,24,30)(H,25,28)(H,31,32)(H,34,35)/t14?,15-/m0/s1" O=C(O)CC[C@H](NC(=O)CCCCCNC(=O)C(CCCCNC(=O)CO)NC(=O)CO)C(=O)O O=C(O)CCC(NC(=O)CCCCCNC(=O)C(CCCCNC(=O)CO)NC(=O)CO)C(=O)O RDCQQSKOTZZMLD-LOACHALJSA-N .
LIN00053 EMCH 351.4 C14H29N3O7 144.36 351.2005503 -1.6768 24 3 9 16 "InChI=1S/C14H29N3O7/c1-12(14(19)17-16)24-13(18)2-4-20-6-8-22-10-11-23-9-7-21-5-3-15/h12H,2-11,15-16H2,1H3,(H,17,19)" CC(OC(=O)CCOCCOCCOCCOCCN)C(=O)NN CC(OC(=O)CCOCCOCCOCCOCCN)C(=O)NN QPOMHTHZZJNFKO-UHFFFAOYSA-N .
LIN00054 Fmoc-12-Ado-OH 402.488 C19H34N2O7 153.03 402.2366014 1.4301 28 5 5 18 "InChI=1S/C19H34N2O7/c22-14-17(24)20-13-9-7-5-3-1-2-4-6-8-10-16(23)21-15(19(27)28)11-12-18(25)26/h15,22H,1-14H2,(H,20,24)(H,21,23)(H,25,26)(H,27,28)/t15-/m0/s1" O=C(O)CC[C@H](NC(=O)CCCCCCCCCCCNC(=O)CO)C(=O)O O=C(O)CCC(NC(=O)CCCCCCCCCCCNC(=O)CO)C(=O)O KKGHSGNRUBJHTF-HNNXBMFYSA-N .
LIN00055 Fmoc-6-aminohexanol 318.326 C13H22N2O7 153.03 318.142701 -0.9105 22 5 5 12 "InChI=1S/C13H22N2O7/c16-8-11(18)14-7-3-1-2-4-10(17)15-9(13(21)22)5-6-12(19)20/h9,16H,1-8H2,(H,14,18)(H,15,17)(H,19,20)(H,21,22)/t9-/m0/s1" O=C(O)CC[C@H](NC(=O)CCCCCNC(=O)CO)C(=O)O O=C(O)CCC(NC(=O)CCCCCNC(=O)CO)C(=O)O IRKFYJYGJGSDNR-VIFPVBQESA-N .
LIN00056 Fmoc-azido-L-alanine 224.22 C9H12N4O3 97.11 224.0909402 -0.7425 16 2 5 5 "InChI=1S/C9H12N4O3/c14-8(6-1-2-6)11-7(9(15)16)5-13-4-3-10-12-13/h3-4,6-7H,1-2,5H2,(H,11,14)(H,15,16)" O=C(NC(Cn1ccnn1)C(=O)O)C1CC1 O=C(NC(Cn1ccnn1)C(=O)O)C1CC1 GDARXAFOGVLPIM-UHFFFAOYSA-N .
LIN00057 "6-(4-(amino(carboxy)methyl)-1H-1,2,3-triazol-1-yl)hexanoic acid" 256.262 C10H16N4O4 131.33 256.117155 0.0075 18 3 6 8 "InChI=1S/C10H16N4O4/c11-9(10(17)18)7-6-14(13-12-7)5-3-1-2-4-8(15)16/h6,9H,1-5,11H2,(H,15,16)(H,17,18)" NC(C(=O)O)c1cn(CCCCCC(=O)O)nn1 NC(C(=O)O)c1cn(CCCCCC(=O)O)nn1 XZNVZPFBCRKMGJ-UHFFFAOYSA-N .
LIN00058 "(3-(1H-1,2,3-triazol-4-yl)propyl)carbamic acid" 170.172 C6H10N4O2 90.9 170.0803756 0.0049 12 3 3 4 "InChI=1S/C6H10N4O2/c11-6(12)7-3-1-2-5-4-8-10-9-5/h4,7H,1-3H2,(H,11,12)(H,8,9,10)" O=C(O)NCCCc1c[nH]nn1 O=C(O)NCCCc1c[nH]nn1 ATGRUMHMIRMACN-UHFFFAOYSA-N .
LIN00059 "rac-4-((R)-2-((R)-2-(3-(1H-1,2,3-triazol-4-yl)propanamido)-3-methylbutanamido)propanamido)benzyl hydrogen carbonate" 460.491 C21H28N6O6 175.4 460.2070326 1.2161 33 5 7 11 "InChI=1S/C21H28N6O6/c1-12(2)18(25-17(28)9-8-16-10-22-27-26-16)20(30)23-13(3)19(29)24-15-6-4-14(5-7-15)11-33-21(31)32/h4-7,10,12-13,18H,8-9,11H2,1-3H3,(H,23,30)(H,24,29)(H,25,28)(H,31,32)(H,22,26,27)/t13-,18-/m0/s1" CC(C)[C@H](NC(=O)CCc1c[nH]nn1)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)O)cc1 CC(NC(=O)C(NC(=O)CCc1c[nH]nn1)C(C)C)C(=O)Nc1ccc(COC(=O)O)cc1 RFGHENNUYMVFQH-UGSOOPFHSA-N .
LIN00060 "S-(1-(2-carboxyethyl)-2,5-dioxopyrrolidin-3-yl)cysteine" 290.297 C10H14N2O6S 138 290.0572572 -1.2663 19 3 6 7 "InChI=1S/C10H14N2O6S/c11-5(10(17)18)4-19-6-3-7(13)12(9(6)16)2-1-8(14)15/h5-6H,1-4,11H2,(H,14,15)(H,17,18)" NC(CSC1CC(=O)N(CCC(=O)O)C1=O)C(=O)O NC(CSC1CC(=O)N(CCC(=O)O)C1=O)C(=O)O XYWRUYKICONFSH-UHFFFAOYSA-N .
LIN00061 "(Z)-N'-(2-hydroxyethylidene)-6-(3-mercapto-2,5-dioxopyrrolidin-1-yl)hexanehydrazide" 301.368 C12H19N3O4S 99.07 301.1096271 -0.3016 20 3 6 8 "InChI=1S/C12H19N3O4S/c16-7-5-13-14-10(17)4-2-1-3-6-15-11(18)8-9(20)12(15)19/h5,9,16,20H,1-4,6-8H2,(H,14,17)/b13-5-" O=C(CCCCCN1C(=O)CC(S)C1=O)N/N=C\CO O=C(CCCCCN1C(=O)CC(S)C1=O)NN=CCO VWBYZCVBANWODJ-ACAGNQJTSA-N .
LIN00062 4-(2-(glycylglycyl)hydrazineylidene)pentanoic acid 244.251 C9H16N4O4 133.88 244.117155 -1.5818 17 4 5 7 "InChI=1S/C9H16N4O4/c1-6(2-3-9(16)17)12-13-8(15)5-11-7(14)4-10/h2-5,10H2,1H3,(H,11,14)(H,13,15)(H,16,17)" CC(CCC(=O)O)=NNC(=O)CNC(=O)CN CC(CCC(=O)O)=NNC(=O)CNC(=O)CN NMCVDYCDYFFPHB-UHFFFAOYSA-N .
LIN00063 Maleimidocaproyl (MC) moiety-valine-citrulline (VC) dipeptide-para-aminobenzyloxycarbamoyl (PABC) spacer (MC-VC-PABC) 650.755 C29H42N6O9S 226.33 650.2733979 1.5115 45 7 9 18 "InChI=1S/C29H42N6O9S/c1-17(2)24(34-22(36)8-4-3-5-14-35-23(37)15-21(45)27(35)40)26(39)33-20(7-6-13-31-28(30)41)25(38)32-19-11-9-18(10-12-19)16-44-29(42)43/h9-12,17,20-21,24,45H,3-8,13-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,36)(H,42,43)(H3,30,31,41)/t20-,21?,24+/m0/s1" CC(C)[C@@H](NC(=O)CCCCCN1C(=O)CC(S)C1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)O)cc1 CC(C)C(NC(=O)CCCCCN1C(=O)CC(S)C1=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)O)cc1 LEBKZSAGLVOOHK-WRLRJORWSA-N .
LIN00064 Mc-PEG2-Val-Cit-PABC 767.859 C33H49N7O12S 273.89 767.315991 -0.1193 53 8 12 24 "InChI=1S/C33H49N7O12S/c1-20(2)28(39-26(42)10-14-50-16-17-51-15-12-35-25(41)9-13-40-27(43)18-24(53)31(40)46)30(45)38-23(4-3-11-36-32(34)47)29(44)37-22-7-5-21(6-8-22)19-52-33(48)49/h5-8,20,23-24,28,53H,3-4,9-19H2,1-2H3,(H,35,41)(H,37,44)(H,38,45)(H,39,42)(H,48,49)(H3,34,36,47)/t23-,24?,28-/m0/s1" CC(C)[C@H](NC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(S)C1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)O)cc1 CC(C)C(NC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(S)C1=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)O)cc1 ROZKQYKETZZPAO-LRFIKDIPSA-N .
LIN00065 Mc-Val-Cit-PAB-OH 576.72 C27H40N6O6S 179.8 576.273004 1.3169 40 6 7 16 "InChI=1S/C27H40N6O6S/c1-17(2)23(32-21(34)13-7-4-8-15-33-22(35)16-20(40)26(33)38)25(37)31-19(12-9-14-29-27(28)39)24(36)30-18-10-5-3-6-11-18/h3,5-6,10-11,17,19-20,23,40H,4,7-9,12-16H2,1-2H3,(H,30,36)(H,31,37)(H,32,34)(H3,28,29,39)" CC(C)C(NC(=O)CCCCCN1C(=O)CC(S)C1=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccccc1 CC(C)C(NC(=O)CCCCCN1C(=O)CC(S)C1=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccccc1 ZNRCNOKAUOKGAT-UHFFFAOYSA-N .
LIN00066 N-succinimidyl-3-maleimidopropionate 203.219 C7H9NO4S 74.68 203.0252288 -0.4816 13 2 4 3 "InChI=1S/C7H9NO4S/c9-5-3-4(13)7(12)8(5)2-1-6(10)11/h4,13H,1-3H2,(H,10,11)" O=C(O)CCN1C(=O)CC(S)C1=O O=C(O)CCN1C(=O)CC(S)C1=O GSQZMNTYKCPUAA-UHFFFAOYSA-N .
LIN00067 N-ε-maleimidocaproic acid hydrazide 259.331 C10H17N3O3S 92.5 259.0990624 -0.406 17 3 5 6 "InChI=1S/C10H17N3O3S/c11-12-8(14)4-2-1-3-5-13-9(15)6-7(17)10(13)16/h7,17H,1-6,11H2,(H,12,14)" NNC(=O)CCCCCN1C(=O)CC(S)C1=O NNC(=O)CCCCCN1C(=O)CC(S)C1=O XBLUSNVFKKSBJG-UHFFFAOYSA-N .
LIN00068 PAMAM linker 7839.988 C341H646N134O70S3 2940.48 7835.027123 -48.1942 548 95 135 356 "InChI=1S/C341H646N134O70S3/c342-75-106-373-274(479)16-171-443(172-17-275(480)374-107-76-343)228-142-409-302(507)40-195-455(196-41-303(508)410-143-229-444(173-18-276(481)375-108-77-344)174-19-277(482)376-109-78-345)240-154-421-314(519)48-203-459(210-55-321(526)428-161-247-466(214-59-310(515)417-150-236-451(187-32-290(495)389-122-91-358)188-33-291(496)390-123-92-359)218-63-325(530)436-169-255-472(265-335(540)400-133-102-369)226-71-301(506)407-139-136-403-273(478)14-7-170-475-340-267-9-2-1-8-266(267)261-474(269-11-4-3-10-268(269)339(340)439-442-475)336(541)15-105-372-330(535)72-227-473-337(542)260-270(546)341(473)545)248-162-429-326(531)64-219-467(220-65-327(532)430-163-249-460(207-52-318(523)425-158-244-463(215-60-322(527)433-166-252-469(262-332(537)397-130-99-366)223-68-295(500)394-127-96-363)211-56-307(512)414-147-233-448(181-26-284(489)383-116-85-352)182-27-285(490)384-117-86-353)204-49-315(520)422-155-241-456(197-42-304(509)411-144-230-445(175-20-278(483)377-110-79-346)176-21-279(484)378-111-80-347)200-45-311(516)418-151-237-452(189-34-292(497)391-124-93-360)192-37-298(503)404-137-134-401-271(476)12-5-103-437-440-370)256-257-468(221-66-328(533)431-164-250-461(208-53-319(524)426-159-245-464(216-61-323(528)434-167-253-470(263-333(538)398-131-100-367)224-69-296(501)395-128-97-364)212-57-308(513)415-148-234-449(183-28-286(491)385-118-87-354)184-29-287(492)386-119-88-355)205-50-316(521)423-156-242-457(198-43-305(510)412-145-231-446(177-22-280(485)379-112-81-348)178-23-281(486)380-113-82-349)201-46-312(517)419-152-238-453(190-35-293(498)392-125-94-361)193-38-299(504)405-138-135-402-272(477)13-6-104-438-441-371)222-67-329(534)432-165-251-462(209-54-320(525)427-160-246-465(217-62-324(529)435-168-254-471(264-334(539)399-132-101-368)225-70-297(502)396-129-98-365)213-58-309(514)416-149-235-450(185-30-288(493)387-120-89-356)186-31-289(494)388-121-90-357)206-51-317(522)424-157-243-458(199-44-306(511)413-146-232-447(179-24-282(487)381-114-83-350)180-25-283(488)382-115-84-351)202-47-313(518)420-153-239-454(191-36-294(499)393-126-95-362)194-39-300(505)406-140-141-408-331(536)73-258-547-548-259-74-338(543)544/h1-4,8-11,270,546H,5-7,12-265,342-369H2,(H,372,535)(H,373,479)(H,374,480)(H,375,481)(H,376,482)(H,377,483)(H,378,484)(H,379,485)(H,380,486)(H,381,487)(H,382,488)(H,383,489)(H,384,490)(H,385,491)(H,386,492)(H,387,493)(H,388,494)(H,389,495)(H,390,496)(H,391,497)(H,392,498)(H,393,499)(H,394,500)(H,395,501)(H,396,502)(H,397,537)(H,398,538)(H,399,539)(H,400,540)(H,401,476)(H,402,477)(H,403,478)(H,404,503)(H,405,504)(H,406,505)(H,407,506)(H,408,536)(H,409,507)(H,410,508)(H,411,509)(H,412,510)(H,413,511)(H,414,512)(H,415,513)(H,416,514)(H,417,515)(H,418,516)(H,419,517)(H,420,518)(H,421,519)(H,422,520)(H,423,521)(H,424,522)(H,425,523)(H,426,524)(H,427,525)(H,428,526)(H,429,531)(H,430,532)(H,431,533)(H,432,534)(H,433,527)(H,434,528)(H,435,529)(H,436,530)(H,543,544)" [N-]=[N+]=NCCCC(=O)NCCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCNC(=O)CCSSCCC(=O)O)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCNC(=O)CCCN=[N+]=[N-])CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCNC(=O)CCCn1nnc2c1-c1ccccc1CN(C(=O)CCNC(=O)CCN1C(=O)CC(S)C1=O)c1ccccc1-2)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN [N-]=[N+]=NCCCC(=O)NCCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCNC(=O)CCSSCCC(=O)O)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCNC(=O)CCCN=[N+]=[N-])CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCNC(=O)CCCn1nnc2c1-c1ccccc1CN(C(=O)CCNC(=O)CCN1C(=O)CC(S)C1=O)c1ccccc1-2)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN DVWHNCLRUFSAKX-UHFFFAOYSA-N .
LIN00069 PEG3-Triazole 259.262 C10H17N3O5 106.56 259.1168206 -0.1708 18 2 6 11 "InChI=1S/C10H17N3O5/c14-10(15)1-2-16-3-4-17-5-6-18-8-9-7-11-13-12-9/h7H,1-6,8H2,(H,14,15)(H,11,12,13)" O=C(O)CCOCCOCCOCc1c[nH]nn1 O=C(O)CCOCCOCCOCc1c[nH]nn1 ZBWAFULTYUSULJ-UHFFFAOYSA-N .
LIN00070 PEG-Triazole 171.156 C6H9N3O3 88.1 171.0643911 -0.204 12 2 4 5 "InChI=1S/C6H9N3O3/c10-6(11)1-2-12-4-5-3-7-9-8-5/h3H,1-2,4H2,(H,10,11)(H,7,8,9)" O=C(O)CCOCc1c[nH]nn1 O=C(O)CCOCc1c[nH]nn1 GXLDBXPXHHATIQ-UHFFFAOYSA-N .
LIN00071 Phosphonic Acid Linker 673.509 C25H33N5O13P2 304.01 673.1550094 -2.2651 45 10 9 17 "InChI=1S/C25H33N5O13P2/c26-12-20(31)28-18(23(34)27-13-21(32)30-25(44(37,38)39)45(40,41)42)10-16-6-8-17(9-7-16)43-14-22(33)29-19(24(35)36)11-15-4-2-1-3-5-15/h1-9,18-19,25H,10-14,26H2,(H,27,34)(H,28,31)(H,29,33)(H,30,32)(H,35,36)(H2,37,38,39)(H2,40,41,42)/t18-,19-/m0/s1" NCC(=O)N[C@@H](Cc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1)C(=O)NCC(=O)NC(P(=O)(O)O)P(=O)(O)O NCC(=O)NC(Cc1ccc(OCC(=O)NC(Cc2ccccc2)C(=O)O)cc1)C(=O)NCC(=O)NC(P(=O)(O)O)P(=O)(O)O JTOYLKNPJGEPFO-OALUTQOASA-N .
LIN00072 PSA-cleavable linker (SSKYQSL) 811.891 C35H57N9O13 387.95 811.4075829 -5.3271 57 14 14 33 "InChI=1S/C35H57N9O13/c1-18(2)13-25(35(56)57)42-34(55)27(17-47)44-31(52)23(10-11-28(38)49)40-32(53)24(14-19-6-8-20(48)9-7-19)41-30(51)22(5-3-4-12-36)39-33(54)26(16-46)43-29(50)21(37)15-45/h6-9,18,21-27,45-48H,3-5,10-17,36-37H2,1-2H3,(H2,38,49)(H,39,54)(H,40,53)(H,41,51)(H,42,55)(H,43,50)(H,44,52)(H,56,57)/t21-,22-,23-,24-,25-,26-,27-/m0/s1" [H]NCCCC[C@H](NC(=O)[C@H](CO[H])NC(=O)[C@H](CO[H])N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(C)C)C(=O)O [H]NCCCCC(NC(=O)C(CO[H])NC(=O)C(CO[H])N[H])C(=O)NC(Cc1ccc(O[H])cc1)C(=O)NC(CCC(=O)N[H])C(=O)NC(CO[H])C(=O)NC(CC(C)C)C(=O)O QYRGYACIXYJGIR-DUJSLOSMSA-N .
LIN00073 (S)-2-(4-(aminomethyl)cyclohexane-1-carboxamido)-3-(naphthalen-2-yl)propanoic acid 354.45 C21H26N2O3 92.42 354.1943427 2.7168 26 3 3 6 "InChI=1S/C21H26N2O3/c22-13-14-5-9-17(10-6-14)20(24)23-19(21(25)26)12-15-7-8-16-3-1-2-4-18(16)11-15/h1-4,7-8,11,14,17,19H,5-6,9-10,12-13,22H2,(H,23,24)(H,25,26)/t14?,17?,19-/m0/s1" NCC1CCC(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)CC1 NCC1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)O)CC1 WLUGMGXQOWHLSU-YVNUBYTISA-N .
LIN00074 SA-MAL 274.298 C10H14N2O5S 103.78 274.0623425 -0.9753 18 3 5 6 "InChI=1S/C10H14N2O5S/c13-7(1-2-9(15)16)11-3-4-12-8(14)5-6(18)10(12)17/h6,18H,1-5H2,(H,11,13)(H,15,16)" O=C(O)CCC(=O)NCCN1C(=O)CC(S)C1=O O=C(O)CCC(=O)NCCN1C(=O)CC(S)C1=O RZYXXJVXFBIELW-UHFFFAOYSA-N .
LIN00075 SS-DSCO-Azide 527.628 C24H25N5O5S2 137.51 527.1297109 3.9577 36 3 8 10 "InChI=1S/C24H25N5O5S2/c30-20(10-13-35-36-14-12-34-24(32)33)25-11-9-21(31)29-15-16-5-1-2-6-17(16)22-23(27-28-26-22)18-7-3-4-8-19(18)29/h1-8H,9-15H2,(H,25,30)(H,32,33)(H,26,27,28)" O=C(CCSSCCOC(=O)O)NCCC(=O)N1Cc2ccccc2-c2nn[nH]c2-c2ccccc21 O=C(CCSSCCOC(=O)O)NCCC(=O)N1Cc2ccccc2-c2nn[nH]c2-c2ccccc21 WEJJIKXJBGWWER-UHFFFAOYSA-N .
LIN00076 S-S-GFLG-C6 709.936 C32H51N7O7S2 232.67 709.329139 1.37687 48 8 10 26 "InChI=1S/C32H51N7O7S2/c1-22(2)17-25(31(45)37-19-27(40)35-15-9-4-7-13-29(42)43)39-32(46)26(18-23-11-5-3-6-12-23)38-28(41)20-36-30(44)24(34)21-48-47-16-10-8-14-33/h3,5-6,11-12,14,22,24-26,33H,4,7-10,13,15-21,34H2,1-2H3,(H,35,40)(H,36,44)(H,37,45)(H,38,41)(H,39,46)(H,42,43)/t24-,25-,26-/m0/s1" CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)CSSCCCC=N)C(=O)NCC(=O)NCCCCCC(=O)O CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)CSSCCCC=N)C(=O)NCC(=O)NCCCCCC(=O)O JSABIZNKUVHFHU-GSDHBNRESA-N .
LIN00077 Thioether (SMCC) 259.327 C11H17NO4S 74.68 259.087829 0.7922 17 2 4 5 "InChI=1S/C11H17NO4S/c13-7-12(10(14)6-17)5-8-1-3-9(4-2-8)11(15)16/h7-9,17H,1-6H2,(H,15,16)" O=CN(CC1CCC(C(=O)O)CC1)C(=O)CS O=CN(CC1CCC(C(=O)O)CC1)C(=O)CS XLQRRCOYXMTILU-UHFFFAOYSA-N .
LIN00078 Thiol group (SH) and maleimide 203.219 C7H9NO4S 74.68 203.0252288 -0.4816 13 2 4 3 "InChI=1S/C7H9NO4S/c9-5-3-4(13)7(12)8(5)2-1-6(10)11/h4,13H,1-3H2,(H,10,11)" O=C(O)CCN1C(=O)CC(S)C1=O O=C(O)CCN1C(=O)CC(S)C1=O GSQZMNTYKCPUAA-UHFFFAOYSA-N .
LIN00079 Triox-DSCO-Azide 657.724 C35H39N5O8 165.2 657.2798632 5.1836 48 3 9 9 "InChI=1S/C35H39N5O8/c41-29(9-11-34(12-14-45-33(43)44)46-35(48-47-34)24-16-21-15-22(18-24)19-25(35)17-21)36-13-10-30(42)40-20-23-5-1-2-6-26(23)31-32(38-39-37-31)27-7-3-4-8-28(27)40/h1-8,21-22,24-25H,9-20H2,(H,36,41)(H,43,44)(H,37,38,39)/t21-,22+,24-,25+,34?,35?" O=C(CCC1(CCOC(=O)O)OOC2(O1)[C@H]1C[C@@H]3C[C@@H](C[C@H]2C3)C1)NCCC(=O)N1Cc2ccccc2-c2nn[nH]c2-c2ccccc21 O=C(CCC1(CCOC(=O)O)OOC2(O1)C1CC3CC(C1)CC2C3)NCCC(=O)N1Cc2ccccc2-c2nn[nH]c2-c2ccccc21 DRHSKUIAURBDDO-DAVDNEGRSA-N .
LIN00080 2-(aminooxy)acetic acid-VA 261.278 C10H19N3O5 130.75 261.1324707 -1.3932 18 4 5 7 "InChI=1S/C10H19N3O5/c1-5(2)8(13-7(14)4-18-11)9(15)12-6(3)10(16)17/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1" CC(C)[C@H](NC(=O)CON)C(=O)N[C@@H](C)C(=O)O CC(NC(=O)C(NC(=O)CON)C(C)C)C(=O)O RTWWIPRRMCEYAC-XPUUQOCRSA-N .
LIN00081 2-(aminooxy)acetic acid-VAGG 375.382 C14H25N5O7 188.95 375.1753981 -3.1608 26 6 7 11 "InChI=1S/C14H25N5O7/c1-7(2)12(19-10(21)6-26-15)14(25)18-8(3)13(24)17-4-9(20)16-5-11(22)23/h7-8,12H,4-6,15H2,1-3H3,(H,16,20)(H,17,24)(H,18,25)(H,19,21)(H,22,23)/t8-,12-/m0/s1" CC(C)[C@H](NC(=O)CON)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O CC(NC(=O)C(NC(=O)CON)C(C)C)C(=O)NCC(=O)NCC(=O)O WHURRSYONJEKOK-UFBFGSQYSA-N .
LIN00082 A-thioether-CGFLG-C6 917.096 C43H64N8O12S 312.6 916.4364405 -0.1763 64 9 12 28 "InChI=1S/C43H64N8O12S/c1-26(2)19-31(41(61)48-22-34(52)45-17-8-4-7-11-37(55)56)50-42(62)32(20-27-9-5-3-6-10-27)49-35(53)23-47-40(60)30(44)25-64-33-21-36(54)51(43(33)63)24-28-12-14-29(15-13-28)39(59)46-18-16-38(57)58/h3,5-6,9-10,26,28-33H,4,7-8,11-25,44H2,1-2H3,(H,45,52)(H,46,59)(H,47,60)(H,48,61)(H,49,53)(H,50,62)(H,55,56)(H,57,58)/t28?,29?,30-,31-,32-,33?/m0/s1" CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CSC1CC(=O)N(CC2CCC(C(=O)NCCC(=O)O)CC2)C1=O)C(=O)NCC(=O)NCCCCCC(=O)O CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)CSC1CC(=O)N(CC2CCC(C(=O)NCCC(=O)O)CC2)C1=O)C(=O)NCC(=O)NCCCCCC(=O)O AWKMDRJXVQXNOE-SPHWINDJSA-N .
LIN00083 6-Aminohexanoic acid-Gly-Phe-Leu-Gly . . . . . . . . . . . . . .
LIN00084 8-O-(12-aminododecanyl)-8-O-debutanoyl . . . . . . . . . . . . . .
LIN00085 Acetic acid 60.052 C2H4O2 37.3 60.02112937 0.0909 4 1 1 0 "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" CC(=O)O CC(=O)O QTBSBXVTEAMEQO-UHFFFAOYSA-N .
LIN00086 Alkane 14.027 CH2*2 0 14.01565006 0.4608 1 0 0 0 . *C* *C* . .
LIN00087 Amide bond 43.025 CH*2NO 29.1 43.00581365 -0.2904 3 1 1 0 . *NC(*)=O *NC(*)=O . .
LIN00088 Amide; Carbamate . . . . . . . . . . . . . .
LIN00089 Amide; Ester . . . . . . . . . . . . . .
LIN00090 "Bis(2,5-dioxopyrrolidin-1-yl) glutarate" . . . . . . . . . . . . . .
LIN00091 Disulfide bond 64.134 *2S2 0 63.944142 1.2964 2 0 2 1 . *SS* *SS* . .
LIN00092 DOTA(GA)2 . . . . . . . . . . . . . .
LIN00093 Double amide . . . . . . . . . . . . . .
LIN00094 Double GFLG enzymatic . . . . . . . . . . . . . .
LIN00095 DTPA . . . . . . . . . . . . . .
LIN00096 Ester bond 44.009 C*2O2 26.3 43.98982924 0.1366 3 0 2 0 . *OC(*)=O *OC(*)=O . .
LIN00097 Glu -carboxylic acid . . . . . . . . . . . . . .
LIN00098 Glutaric anhydride . . . . . . . . . . . . . .
LIN00099 Gly-Phe-Leu-Gly . . . . . . . . . . . . . .
LIN00100 Hydrazone bond 42.041 CH2*2N2 38.38 42.02179806 -0.6853 3 1 2 0 . *C(*)=NN *C(*)=NN . .
LIN00101 "(2-(3-mercapto-2,5-dioxopyrrolidin-1-yl)ethyl)carbamic acid" 218.234 C7H10N2O4S 86.71 218.0361278 -0.6887 14 3 4 3 "InChI=1S/C7H10N2O4S/c10-5-3-4(14)6(11)9(5)2-1-8-7(12)13/h4,8,14H,1-3H2,(H,12,13)" O=C(O)NCCN1C(=O)CC(S)C1=O O=C(O)NCCN1C(=O)CC(S)C1=O HBNRYACXJVBIME-UHFFFAOYSA-N .
LIN00102 Larger flexible alkyl spacer . . . . . . . . . . . . . .
LIN00103 Maleimide . . . . . . . . . . . . . .
LIN00104 "N,N'-bis [2-hydroxy-5-(carboxyethyl)benzyl]" . . . . . . . . . . . . . .
LIN00105 "N-Boc-N-(glutaryl)-N,N-dimethylethylenediamine linker" . . . . . . . . . . . . . .
LIN00106 No Linker . . . . . . . . . . . . . .
LIN00107 NOTA . . . . . . . . . . . . . .
LIN00108 N-succinimidyl-4-(N-maleimidomethyl) cyclohexane-1-carboxylate (SMCC) . . . . . . . . . . . . . .
LIN00109 Oxime bond . . . . . . . . . . . . . .
LIN00110 PDEC-NB . . . . . . . . . . . . . .
LIN00111 "Rigid 1,2,3-triazole ring" . . . . . . . . . . . . . .
LIN00112 Succinimide ester . . . . . . . . . . . . . .
LIN00113 Succinimidyl thioether bond . . . . . . . . . . . . . .
LIN00114 Succinyl . . . . . . . . . . . . . .
LIN00115 Val-Ala-PAB . . . . . . . . . . . . . .
LIN00116 Thioglycolic acid 92.12 C2H4O2S 38.3 42.9 0.1 5 2 3 1 "InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)" C(C(=O)O)S C(C(=O)O)S CWERGRDVMFNCDR-UHFFFAOYSA-N 2-sulfanylacetic acid
LIN00117 "3,3-Dimethylglutaric acid" 160.17 C7H12O4 74.6 153 0.4 11 2 4 4 "InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)" CC(C)(CC(=O)O)CC(=O)O CC(C)(CC(=O)O)CC(=O)O DUHQIGLHYXLKAE-UHFFFAOYSA-N "3,3-dimethylpentanedioic acid"
LIN00118 Diazo bond 28.014 *2N2 24.72 28.006148 0.3672 2 0 2 0 . */N=N/* *N=N* . .
LIN00119 Ethyl 2-(piperazin-1-yl)acetate 172.22 C8H16N2O2 41.6 144 -0.1 12 1 4 4 "InChI=1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3" CCOC(=O)CN1CCNCC1 CCOC(=O)CN1CCNCC1 MTFCXMJOGMHYAE-UHFFFAOYSA-N ethyl 2-piperazin-1-ylacetate
LIN00120 PEG114 4687.41 C204H410O114 1074.22 4684.62853 -0.1048 318 2 114 315 "InChI=1S/C204H410O114/c205-1-3-207-5-7-209-9-52-232-96-140-277-184-278-142-98-234-54-12-211-13-56-236-100-144-281-186-282-146-102-238-58-16-213-17-60-240-104-148-285-188-286-150-106-242-62-20-215-21-64-244-108-152-289-190-290-154-110-246-66-24-217-25-68-248-112-156-293-192-294-158-114-250-70-28-219-29-72-252-116-160-297-194-298-162-118-254-74-32-221-33-76-256-120-164-301-196-302-166-122-258-78-36-223-37-80-260-124-168-305-198-306-170-126-262-82-40-225-41-84-264-128-172-309-200-310-174-130-266-86-44-227-45-88-268-132-176-313-202-314-178-134-270-90-48-229-49-92-272-136-180-317-204-318-182-138-274-94-51-230-50-93-273-137-181-316-203-315-179-135-271-91-47-228-46-89-269-133-177-312-201-311-175-131-267-87-43-226-42-85-265-129-173-308-199-307-171-127-263-83-39-224-38-81-261-125-169-304-197-303-167-123-259-79-35-222-34-77-257-121-165-300-195-299-163-119-255-75-31-220-30-73-253-117-161-296-193-295-159-115-251-71-27-218-26-69-249-113-157-292-191-291-155-111-247-67-23-216-22-65-245-109-153-288-189-287-151-107-243-63-19-214-18-61-241-105-149-284-187-283-147-103-239-59-15-212-14-57-237-101-145-280-185-279-143-99-235-55-11-210-10-53-233-97-141-276-183-275-139-95-231-8-6-208-4-2-206/h205-206H,1-204H2" OCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCO OCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCOCCOCOCCOCCOCCO HDPMVWDJJJJWIG-UHFFFAOYSA-N .
LIN00121 Succinimide . . . . . . . . . . . . . .
LIN00122 Mercaptoacetic acid . . . . . . . . . . . . . .
LIN00123 3-Aminopropionic acid . . . . . . . . . . . . . .
LIN00124 Glycolic acide . . . . . . . . . . . . . .
LIN00125 Glycol acid . . . . . . . . . . . . . .
LIN00126 PEG . . . . . . . . . . . . . .
LIN00127 Triazole . . . . . . . . . . . . . .
LIN00128 Butyric acid . . . . . . . . . . . . . .
LIN00129 Glycolic acid . . . . . . . . . . . . . .
LIN00130 Propanamide . . . . . . . . . . . . . .
LIN00131 Hexanamide . . . . . . . . . . . . . .
LIN00132 Butyramide . . . . . . . . . . . . . .
LIN00133 Butane . . . . . . . . . . . . . .
LIN00134 Sulfide . . . . . . . . . . . . . .
LIN00135 Glycole . . . . . . . . . . . . . .
LIN00136 Amino-hexanoic acid . . . . . . . . . . . . . .
LIN00137 Glutamic acid . . . . . . . . . . . . . .
LIN00138 Aminobenzoic acid . . . . . . . . . . . . . .
LIN00139 Benzyl . . . . . . . . . . . . . .
LIN00140 4-Maleimidobutyric acid . . . . . . . . . . . . . .
LIN00141 "1,4-Cyclohexanediamine" . . . . . . . . . . . . . .
LIN00142 Ethylendiamine . . . . . . . . . . . . . .
LIN00143 Decanoic acid . . . . . . . . . . . . . .
LIN00144 ß-alanine . . . . . . . . . . . . . .
LIN00145 Propyl . . . . . . . . . . . . . .
LIN00146 Undisclosed . . . . . . . . . . . . . .
LIN00147 PEG8 326.386 C14H30O8 95.84 326.1940679 -0.9294 22 2 8 19 "InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2" OCCOCCOCCOCCOCCOCCOCCO OCCOCCOCCOCCOCCOCCOCCO XPJRQAIZZQMSCM-UHFFFAOYSA-N .
LIN00148 2-Disulfaneylethyl hydrogen carbonate 154.212 C3H6O3S2 46.53 153.9758361 1.259 8 2 4 3 "InChI=1S/C3H6O3S2/c4-3(5)6-1-2-8-7/h7H,1-2H2,(H,4,5)" O=C(O)OCCSS O=C(O)OCCSS GIRKPUUKWCSTPG-UHFFFAOYSA-N .
LIN00149 3-Disulfaneylpropanoic acid 138.213 C3H6O2S2 37.3 137.9809214 1.0391 7 2 3 3 "InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)" O=C(O)CCSS O=C(O)CCSS CXXDUKKBFUFJDF-UHFFFAOYSA-N .
LIN00150 2-Hydroxyacetic acid 76.051 C2H4O3 57.53 76.01604399 -0.9367 5 2 2 1 "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)" O=C(O)CO O=C(O)CO AEMRFAOFKBGASW-UHFFFAOYSA-N .
LIN00151 Aoa-GFLG 477.518 C22H31N5O7 175.29 477.2223483 -0.806 34 5 7 15 "InChI=1S/C22H31N5O7/c1-14(2)9-16(21(32)25-12-20(30)31)27-22(33)17(10-15-7-5-4-6-8-15)26-18(28)11-24-19(29)13-34-23-3/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,24,29)(H,25,32)(H,26,28)(H,27,33)(H,30,31)/t16-,17-/m0/s1" C=NOCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)O C=NOCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)O CESTYIMHRWMYMU-IRXDYDNUSA-N .
LIN00152 "2-Amino-3-(1H-1,2,3-triazol-4-yl)propanoic acid" 156.145 C5H8N4O2 104.89 156.0647255 -1.2409 11 3 4 3 "InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)" NC(Cc1c[nH]nn1)C(=O)O NC(Cc1c[nH]nn1)C(=O)O YCHNJQXUYMPHNB-UHFFFAOYSA-N .
LIN00153 Phosphoramidate bond 97.01 H4NO3P 83.55 96.99287962 -0.9622 5 3 1 0 "InChI=1S/H4NO3P/c1-5(2,3)4/h(H4,1,2,3,4)" NP(=O)(O)O NP(=O)(O)O PTMHPRAIXMAOOB-UHFFFAOYSA-N .
LIN00154 Matrix metalloproteinase-2 (MMP-2) peptide substrate (PLGLAG) 752.955 C36H64N8O9 258.23 752.4796256 -0.2348 53 8 9 23 "InChI=1S/C36H64N8O9/c1-19(2)13-24(37)32(49)43-27(16-22(7)8)36(53)44-12-10-11-28(44)35(52)42-25(14-20(3)4)33(50)38-17-29(45)41-26(15-21(5)6)34(51)40-23(9)31(48)39-18-30(46)47/h19-28H,10-18,37H2,1-9H3,(H,38,50)(H,39,48)(H,40,51)(H,41,45)(H,42,52)(H,43,49)(H,46,47)/t23-,24-,25-,26-,27-,28-/m0/s1" [H]N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)O [H]NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)O ACSGXRZIDNNUOK-QUQVWLGBSA-N .
LIN00155 4-Hydroxybenzoic acid 138.122 C7H6O3 57.53 138.0316941 1.0904 10 2 2 1 "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)" O=C(O)c1ccc(O)cc1 O=C(O)c1ccc(O)cc1 FJKROLUGYXJWQN-UHFFFAOYSA-N .
LIN00156 2 Polyethylene glycol and leucine-arginine sequence 581.671 C26H43N7O8 242.71 581.3173113 -0.1191 41 7 9 20 "InChI=1S/C26H43N7O8/c1-17(2)14-21(32-22(34)16-40-13-12-39-11-9-27)24(36)33-20(4-3-10-30-25(28)29)23(35)31-19-7-5-18(6-8-19)15-41-26(37)38/h5-8,17,20-21H,3-4,9-16,27H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H,37,38)(H4,28,29,30)/t20-,21-/m0/s1" [H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCN)C(=O)Nc1ccc(COC(=O)O)cc1 [H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)COCCOCCN)C(=O)Nc1ccc(COC(=O)O)cc1 AFCVSUWRVJDTSW-SFTDATJTSA-N .
LIN00157 3 Polyethylene glycol and leucine-arginine sequence 625.724 C28H47N7O9 251.94 625.3435261 -0.1025 44 7 10 23 "InChI=1S/C28H47N7O9/c1-19(2)16-23(34-24(36)18-43-15-14-42-13-12-41-11-9-29)26(38)35-22(4-3-10-32-27(30)31)25(37)33-21-7-5-20(6-8-21)17-44-28(39)40/h5-8,19,22-23H,3-4,9-18,29H2,1-2H3,(H,33,37)(H,34,36)(H,35,38)(H,39,40)(H4,30,31,32)/t22-,23-/m0/s1" [H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCOCCN)C(=O)Nc1ccc(COC(=O)O)cc1 [H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)COCCOCCOCCN)C(=O)Nc1ccc(COC(=O)O)cc1 SHMZOUSVGAWLME-GOTSBHOMSA-N .
LIN00158 4 Polyethylene glycol and leucine-arginine sequence 669.777 C30H51N7O10 261.17 669.3697408 -0.0859 47 7 11 26 "InChI=1S/C30H51N7O10/c1-21(2)18-25(36-26(38)20-46-17-16-45-15-14-44-13-12-43-11-9-31)28(40)37-24(4-3-10-34-29(32)33)27(39)35-23-7-5-22(6-8-23)19-47-30(41)42/h5-8,21,24-25H,3-4,9-20,31H2,1-2H3,(H,35,39)(H,36,38)(H,37,40)(H,41,42)(H4,32,33,34)/t24-,25-/m0/s1" [H]N/C(N)=N/CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCOCCOCCN)C(=O)Nc1ccc(COC(=O)O)cc1 [H]NC(N)=NCCCC(NC(=O)C(CC(C)C)NC(=O)COCCOCCOCCOCCN)C(=O)Nc1ccc(COC(=O)O)cc1 ITROTYPCUKLIJK-DQEYMECFSA-N .
LIN00159 PVGLIG 554.689 C26H46N6O7 194.83 554.3427978 -0.742 39 7 7 16 "InChI=1S/C26H46N6O7/c1-7-16(6)22(26(39)29-13-20(34)35)32-24(37)18(11-14(2)3)30-19(33)12-28-25(38)21(15(4)5)31-23(36)17-9-8-10-27-17/h14-18,21-22,27H,7-13H2,1-6H3,(H,28,38)(H,29,39)(H,30,33)(H,31,36)(H,32,37)(H,34,35)/t16-,17-,18-,21-,22-/m0/s1" [H]N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C [H]N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC([H])(C(=O)NCC(=O)O)C(C)CC)C(C)C BAUZUUVIDLQHIJ-SPAGYVKCSA-N .
LIN00160 Boc-aminooxy acetic acid 147.086 C4H5NO5 96.19 147.0167723 -0.842 10 2 4 4 "InChI=1S/C4H5NO5/c6-3(7)1-5-10-2-4(8)9/h1H,2H2,(H,6,7)(H,8,9)/b5-1+" O=C(O)/C=N/OCC(=O)O O=C(O)C=NOCC(=O)O HLYYFIJFVHWHOM-ORCRQEGFSA-N .
LIN00161 Adipic acid 146.142 C6H10O4 74.6 146.0579088 0.716 10 2 2 5 "InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)" O=C(O)CCCCC(=O)O O=C(O)CCCCC(=O)O WNLRTRBMVRJNCN-UHFFFAOYSA-N .
LIN00162 "4-(3-((2-Amino-2-carboxyethyl)thio)-2,5-dioxopyrrolidin-1-yl)butanoic acid" 304.324 C11H16N2O6S 138 304.0729072 -0.8762 20 3 6 8 "InChI=1S/C11H16N2O6S/c12-6(11(18)19)5-20-7-4-8(14)13(10(7)17)3-1-2-9(15)16/h6-7H,1-5,12H2,(H,15,16)(H,18,19)" NC(CSC1CC(=O)N(CCCC(=O)O)C1=O)C(=O)O NC(CSC1CC(=O)N(CCCC(=O)O)C1=O)C(=O)O NZJIFDPWWAUOJF-UHFFFAOYSA-N .
LIN00163 S-(carboxymethyl)cysteine 179.197 C5H9NO4S 100.62 179.0252288 -0.7839 11 3 4 5 "InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" NC(CSCC(=O)O)C(=O)O NC(CSCC(=O)O)C(=O)O GBFLZEXEOZUWRN-UHFFFAOYSA-N .
LIN00164 "2-(4-(3-mercapto-2,5-dioxopyrrolidin-1-yl)phenyl)acetic acid" 265.29 C12H11NO4S 74.68 265.0408788 0.8754 18 2 4 3 "InChI=1S/C12H11NO4S/c14-10-6-9(18)12(17)13(10)8-3-1-7(2-4-8)5-11(15)16/h1-4,9,18H,5-6H2,(H,15,16)" O=C(O)Cc1ccc(N2C(=O)CC(S)C2=O)cc1 O=C(O)Cc1ccc(N2C(=O)CC(S)C2=O)cc1 ZBHBQLUKAMBIGK-UHFFFAOYSA-N .
LIN00165 Ether bond 15.999 *2O 9.23 15.99491462 -0.0684 1 0 1 0 . *O* *O* . .
LIN00166 PC4AP 712.643 C28H32N4O16S 249.82 712.1534019 2.1663 49 2 17 16 "InChI=1S/C28H32N4O16S/c1-40-18-5-14(16(31(36)37)7-20(18)42-3)11-44-25-10-23(47-27(29)35)28(48-25,13-46-30-24(33)9-22(49)26(30)34)45-12-15-6-19(41-2)21(43-4)8-17(15)32(38)39/h5-8,22-23,25,49H,9-13H2,1-4H3,(H2,29,35)" COc1cc(COC2CC(OC(N)=O)C(CON3C(=O)CC(S)C3=O)(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])O2)c([N+](=O)[O-])cc1OC COc1cc(COC2CC(OC(N)=O)C(CON3C(=O)CC(S)C3=O)(OCc3cc(OC)c(OC)cc3[N+](=O)[O-])O2)c([N+](=O)[O-])cc1OC DBGVKOJDYGVAGD-UHFFFAOYSA-N .
LIN00167 C4AP 322.295 C10H14N2O8S 148.62 322.0470864 -2.1335 21 4 9 4 "InChI=1S/C10H14N2O8S/c11-9(16)19-5-2-7(14)20-10(5,17)3-18-12-6(13)1-4(21)8(12)15/h4-5,7,14,17,21H,1-3H2,(H2,11,16)" NC(=O)OC1CC(O)OC1(O)CON1C(=O)CC(S)C1=O NC(=O)OC1CC(O)OC1(O)CON1C(=O)CC(S)C1=O NSZVBVPYOXZACW-UHFFFAOYSA-N .
LIN00168 4-(2Disulfaneylethoxy)-4-oxobutanoic acid 224.303 C7H12O4S2 63.6 224.0177009 1.3625 13 2 5 7 "InChI=1S/C7H12O4S2/c8-6(9)2-1-3-7(10)11-4-5-13-12/h12H,1-5H2,(H,8,9)" O=C(O)CCCC(=O)OCCSS O=C(O)CCCC(=O)OCCSS LPPGDVOBTLGSMV-UHFFFAOYSA-N .
LIN00169 5-(2-Disulfaneylethoxy)-5-oxopentanoic acid . . . . . . . . . . . . . .
LIN00170 2-(2-(2-Aminoethoxy)ethoxy)acetic acid 163.173 C6H13NO4 81.78 163.0844579 -0.9371 11 2 4 7 "InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)" NCCOCCOCC(=O)O NCCOCCOCC(=O)O RUVRGYVESPRHSZ-UHFFFAOYSA-N .
LIN00171 Pimelic acid 160.169 C7H12O4 74.6 160.0735589 1.1061 11 2 2 6 "InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)" O=C(O)CCCCCC(=O)O O=C(O)CCCCCC(=O)O WLJVNTCWHIRURA-UHFFFAOYSA-N .
LIN00172 Suberic acid 174.196 C8H14O4 74.6 174.0892089 1.4962 12 2 2 7 "InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)" O=C(O)CCCCCCC(=O)O O=C(O)CCCCCCC(=O)O TYFQFVWCELRYAO-UHFFFAOYSA-N .
LIN00173 PEG4-GPLG-PABC 848.908 C38H56N8O14 288.17 848.3915985 -0.0507 60 6 15 29 "InChI=1S/C38H56N8O14/c1-26(2)20-30(36(52)40-21-33(48)41-28-7-5-27(6-8-28)24-60-38(54)55)42-37(53)31-4-3-11-46(31)34(49)22-39-32(47)10-9-29-23-45(44-43-29)12-13-56-14-15-57-16-17-58-18-19-59-25-35(50)51/h5-8,23,26,30-31H,3-4,9-22,24-25H2,1-2H3,(H,39,47)(H,40,52)(H,41,48)(H,42,53)(H,50,51)(H,54,55)/t30-,31-/m0/s1" CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCc1cn(CCOCCOCCOCCOCC(=O)O)nn1)C(=O)NCC(=O)Nc1ccc(COC(=O)O)cc1 CC(C)CC(NC(=O)C1CCCN1C(=O)CNC(=O)CCc1cn(CCOCCOCCOCCOCC(=O)O)nn1)C(=O)NCC(=O)Nc1ccc(COC(=O)O)cc1 NGYPVUCYXADIBF-CONSDPRKSA-N .
LIN00174 "1-Amino-1,5-dioxo-3,9,12,15,18,21,24-heptaoxa-6-azahexacosan-26-oic acid" 454.473 C18H34N2O11 174.1 454.2162599 -2.2113 31 3 10 24 "InChI=1S/C18H34N2O11/c19-16(21)13-31-14-17(22)20-1-2-25-3-4-26-5-6-27-7-8-28-9-10-29-11-12-30-15-18(23)24/h1-15H2,(H2,19,21)(H,20,22)(H,23,24)" NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)O NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)O PZRQIVLTQDWXET-UHFFFAOYSA-N .
LIN00175 (Sarcosine)3 . . . . . . . . . . . . . .
LIN00176 POSS 1651.945 C53H78N12O34Si8 677.6 1650.28975 -7.8085 107 18 30 45 "InChI=1S/C53H78N12O34Si8/c54-18-21-57-38(66)2-4-40(68)59-23-31-101-88-100(30-1-20-56-42(70)6-12-48(76)77)89-102(32-25-61-43(71)7-13-49(78)79)93-104(91-101,35-27-63-45(73)9-15-51(82)83)97-107(34-24-60-41(69)5-3-39(67)58-22-19-55)98-105(92-101,36-28-64-46(74)10-16-52(84)85)94-103(90-100,33-26-62-44(72)8-14-50(80)81)96-106(95-102,99-107)37-29-65-47(75)11-17-53(86)87/h2-17H,1,18-37,54-55H2,(H,56,70)(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,61,71)(H,62,72)(H,63,73)(H,64,74)(H,65,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)/b4-2-,5-3-,12-6+,13-7-,14-8-,15-9-,16-10-,17-11-" NCCNC(=O)/C=C\C(=O)NCC[Si]12O[Si]3(CCCNC(=O)/C=C/C(=O)O)O[Si]4(CCNC(=O)/C=C\C(=O)O)O[Si]5(CCNC(=O)/C=C\C(=O)O)O[Si](CCNC(=O)/C=C\C(=O)O)(O3)O[Si](CCNC(=O)/C=C\C(=O)O)(O1)O[Si](CCNC(=O)/C=C\C(=O)NCCN)(O5)O[Si](CCNC(=O)/C=C\C(=O)O)(O4)O2 NCCNC(=O)C=CC(=O)NCC[Si]12O[Si]3(CCCNC(=O)C=CC(=O)O)O[Si]4(CCNC(=O)C=CC(=O)O)O[Si]5(CCNC(=O)C=CC(=O)O)O[Si](CCNC(=O)C=CC(=O)O)(O3)O[Si](CCNC(=O)C=CC(=O)O)(O1)O[Si](CCNC(=O)C=CC(=O)NCCN)(O5)O[Si](CCNC(=O)C=CC(=O)O)(O4)O2 YHJSZRVQUNEHHM-UBIWWPBFSA-N .
LIN00177 PEG4-Triazole 347.324 C13H21N3O8 142.23 347.1328646 -0.5251 24 2 9 15 "InChI=1S/C13H21N3O8/c17-12(18)1-2-21-3-4-22-5-6-23-7-8-24-10-16-9-11(13(19)20)14-15-16/h9H,1-8,10H2,(H,17,18)(H,19,20)" O=C(O)CCOCCOCCOCCOCn1cc(C(=O)O)nn1 O=C(O)CCOCCOCCOCCOCn1cc(C(=O)O)nn1 OYYLGJHEWOXFPN-UHFFFAOYSA-N .
LIN00178 β-Alanine 89.094 C3H7NO2 63.32 89.04767846 -0.5802 6 2 2 2 "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" NCCC(=O)O NCCC(=O)O UCMIRNVEIXFBKS-UHFFFAOYSA-N .
LIN00179 N-carboxy-N-(2-(methylamino)ethyl)glycine 176.172 C6H12N2O4 89.87 176.0797069 -0.7296 12 3 3 5 "InChI=1S/C6H12N2O4/c1-7-2-3-8(6(11)12)4-5(9)10/h7H,2-4H2,1H3,(H,9,10)(H,11,12)" CNCCN(CC(=O)O)C(=O)O CNCCN(CC(=O)O)C(=O)O XQAMVFXFOVZXAZ-UHFFFAOYSA-N .
LIN00180 N-(2-aminoethyl)-N-carboxyglycine 162.145 C5H10N2O4 103.86 162.0640568 -0.9903 11 3 3 4 "InChI=1S/C5H10N2O4/c6-1-2-7(5(10)11)3-4(8)9/h1-3,6H2,(H,8,9)(H,10,11)" NCCN(CC(=O)O)C(=O)O NCCN(CC(=O)O)C(=O)O XOOZVXBAAULMLA-UHFFFAOYSA-N .