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M  END
> <PUBCHEM_COMPOUND_CID>
46884921

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
14000

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
81

> <PUBCHEM_CACTVS_HBOND_DONOR>
46

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
138

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//gAAAAAAAAAAAAAAAABIkAAAAAAwYMGDAAAaNACBVAAAHgAQCAAAD3zhmAYzDoLABgCoAqHSOAKCAACkIAAJiIHODMiLdj6C/T+XcQhn9hObuYf///7PoAAAAAAAAABCAAYQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-[[4-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-oxo-ethoxy]-4-oxo-butanoyl]amino]-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-oxo-ethoxy]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-6-[[4-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-oxo-ethoxy]-4-oxo-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxo-pentanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-1,4-dioxobutyl]amino]-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-carbamimidamido-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-carbamimidamido-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>S</I>)-4-[[(2<I>S</I>)-2-[[(2<I>S</I>,3<I>R</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-4-amino-2-[[(2<I>S</I>)-4-amino-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-6-[[4-[(1<I>S</I>,2<I>R</I>)-1-benzamido-3-[[(1<I>S</I>,2<I>S</I>,3<I>R</I>,4<I>S</I>,7<I>R</I>,9<I>S</I>,10<I>S</I>,12<I>R</I>,15<I>S</I>)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0<SUP>3,10</SUP>.0<SUP>4,7</SUP>]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]-2-[[2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[2-[[2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[4-[(1<I>S</I>,2<I>R</I>)-1-benzamido-3-[[(1<I>S</I>,2<I>S</I>,3<I>R</I>,4<I>S</I>,7<I>R</I>,9<I>S</I>,10<I>S</I>,12<I>R</I>,15<I>S</I>)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0<SUP>3,10</SUP>.0<SUP>4,7</SUP>]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-6-[[4-[(1<I>S</I>,2<I>R</I>)-1-benzamido-3-[[(1<I>S</I>,2<I>S</I>,3<I>R</I>,4<I>S</I>,7<I>R</I>,9<I>S</I>,10<I>S</I>,12<I>R</I>,15<I>S</I>)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0<SUP>3,10</SUP>.0<SUP>4,7</SUP>]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(1<I>S</I>)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid

> <PUBCHEM_IUPAC_NAME>
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-10,14,17,17-tetramethyl-1,9-bis(oxidanyl)-11-oxidanylidene-2-(phenylcarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxidanylidene-1-phenyl-propan-2-yl]oxy-4-oxidanylidene-butanoyl]amino]-2-[2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-10,14,17,17-tetramethyl-1,9-bis(oxidanyl)-11-oxidanylidene-2-(phenylcarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxidanylidene-1-phenyl-propan-2-yl]oxy-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-5-carbamimidamido-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-10,14,17,17-tetramethyl-1,9-bis(oxidanyl)-11-oxidanylidene-2-(phenylcarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxidanylidene-1-phenyl-propan-2-yl]oxy-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-[[4-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-11-keto-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-keto-ethoxy]-4-keto-butanoyl]amino]-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-11-keto-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-keto-ethoxy]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-6-[[4-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-11-keto-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-keto-ethoxy]-4-keto-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-keto-valeric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C257H308N32O79/c1-133-174(123-255(348)216(363-238(342)155-81-51-30-52-82-155)210-249(18,177(301)120-180-252(210,130-351-180)366-141(9)296)213(319)204(354-138(6)293)196(133)246(255,12)13)357-241(345)207(201(149-69-39-24-40-70-149)287-219(322)152-75-45-27-46-76-152)360-193(316)106-101-185(306)264-109-59-57-87-161(271-190(311)128-270-222(325)160(89-61-111-266-244(260)261)273-234(337)173(129-290)272-189(310)127-268-188(309)126-269-223(326)166(116-147-91-95-158(299)96-92-147)278-230(333)168(114-145-65-35-22-36-66-145)279-231(334)169(115-146-67-37-23-38-68-146)283-235(338)199(136(4)291)285-187(308)103-108-195(318)362-209(203(151-73-43-26-44-74-151)289-221(324)154-79-49-29-50-80-154)243(347)359-176-125-257(350)218(365-240(344)157-85-55-32-56-86-157)212-251(20,179(303)122-182-254(212,132-353-182)368-143(11)298)215(321)206(356-140(8)295)198(135(176)3)248(257,16)17)224(327)274-163(90-62-112-267-245(262)263)225(328)281-170(118-183(258)304)233(336)282-171(119-184(259)305)232(335)280-167(113-144-63-33-21-34-64-144)229(332)275-162(228(331)286-200(137(5)292)236(339)277-165(100-105-192(314)315)226(329)276-164(99-104-191(312)313)227(330)284-172(237(340)341)117-148-93-97-159(300)98-94-148)88-58-60-110-265-186(307)102-107-194(317)361-208(202(150-71-41-25-42-72-150)288-220(323)153-77-47-28-48-78-153)242(346)358-175-124-256(349)217(364-239(343)156-83-53-31-54-84-156)211-250(19,178(302)121-181-253(211,131-352-181)367-142(10)297)214(320)205(355-139(7)294)197(134(175)2)247(256,14)15/h21-56,63-86,91-98,136-137,160-182,199-212,216-218,290-292,299-303,348-350H,57-62,87-90,99-132H2,1-20H3,(H2,258,304)(H2,259,305)(H,264,306)(H,265,307)(H,268,309)(H,269,326)(H,270,325)(H,271,311)(H,272,310)(H,273,337)(H,274,327)(H,275,332)(H,276,329)(H,277,339)(H,278,333)(H,279,334)(H,280,335)(H,281,328)(H,282,336)(H,283,338)(H,284,330)(H,285,308)(H,286,331)(H,287,322)(H,288,323)(H,289,324)(H,312,313)(H,314,315)(H,340,341)(H4,260,261,266)(H4,262,263,267)/t136?,137-,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180-,181-,182-,199+,200+,201+,202+,203+,204-,205-,206-,207-,208-,209-,210+,211+,212+,216+,217+,218+,249-,250-,251-,252+,253+,254+,255-,256-,257-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GBVKRUOMSUTVPW-AHNVSIPUSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
5108.1134426

> <PUBCHEM_MOLECULAR_FORMULA>
C257H308N32O79

> <PUBCHEM_MOLECULAR_WEIGHT>
5109

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)NCCCCC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CCCCNC(=O)CCC(=O)OC(C(C8=CC=CC=C8)NC(=O)C9=CC=CC=C9)C(=O)OC1CC2(C(C3C(C(CC5C3(CO5)OC(=O)C)O)(C(=O)C(C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C1=CC=CC=C1)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CCC(=O)OC(C(C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)C(=O)OC1CC2(C(C3C(C(CC5C3(CO5)OC(=O)C)O)(C(=O)C(C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C1=CC=CC=C1)O)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@H]([C@H](C8=CC=CC=C8)NC(=O)C9=CC=CC=C9)C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]5[C@]3(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C1=CC=CC=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)O)NC(=O)CCC(=O)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]5[C@]3(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C1=CC=CC=C1)O)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C

> <PUBCHEM_CACTVS_TPSA>
1720

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
5106.1067329

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
368

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
50

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
127  10  6
345  101  5
347  107  6
359  109  6
128  11  6
112  369  5
113  370  5
114  371  6
118  151  6
119  152  6
129  12  5
120  153  5
121  372  5
122  373  5
123  374  6
130  13  6
131  14  6
132  15  5
154  16  6
155  17  6
156  18  5
187  196  8
187  197  8
188  198  8
188  199  8
189  200  8
189  201  8
196  205  8
197  206  8
198  207  8
199  208  8
200  209  8
201  210  8
205  211  8
206  211  8
207  212  8
208  212  8
209  213  8
210  213  8
214  220  8
214  221  8
215  222  8
215  223  8
216  224  8
216  225  8
157  22  5
220  232  8
221  233  8
222  234  8
223  235  8
224  236  8
225  237  8
158  23  5
232  244  8
233  244  8
234  245  8
235  245  8
236  246  8
237  246  8
238  247  8
238  248  8
239  249  8
239  250  8
159  24  6
240  251  8
240  252  8
247  256  8
248  257  8
249  258  8
250  259  8
251  260  8
252  261  8
256  262  8
257  262  8
258  263  8
259  263  8
260  264  8
261  264  8
284  288  8
284  289  8
288  295  8
289  296  8
295  301  8
296  301  8
304  312  8
304  313  8
307  317  8
307  318  8
312  322  8
313  323  8
317  330  8
318  331  8
322  329  8
323  329  8
330  334  8
331  334  8
333  341  8
333  342  8
341  348  8
342  349  8
348  352  8
349  352  8
363  364  8
363  365  8
364  366  8
365  367  8
366  368  8
367  368  8
190  37  6
191  38  6
192  39  5
115  4  5
268  49  3
116  5  5
299  56  5
117  6  6
124  7  5
125  8  5
202  80  5
203  81  5
204  82  6
265  83  6
277  86  5
278  87  6
279  88  5
287  89  6
126  9  6
291  90  5
290  91  6
292  92  5
309  94  5
314  95  5
316  96  6
315  97  6
319  99  5

$$$$
