General Information of This Peptide
Peptide ID
PEP00154
Peptide Name
GIP1234
Structure
Sequence
YAEGTFISDYSIAKDKIHQQEFEWLKAGGHPSGAPPPS
Peptide Type
Linear
PDC Transmembrane Types Cell targeting peptides (CTPs)
Formula
C190H276N48O58
Isosmiles
[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CO[H])NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO[H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O[H])cc1)N[H])[C@@H](C)O[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[H])C(=O)O)[C@@H](C)CC
InChI
InChI=1S/C190H276N48O58/c1-14-97(6)153(234-179(284)136(92-241)227-172(277)127(77-108-50-54-113(245)55-51-108)221-176(281)132(82-152(260)261)224-178(283)135(91-240)229-184(289)155(99(8)16-3)233-177(282)128(76-106-37-21-18-22-38-106)225-185(290)156(104(13)243)231-147(251)89-202-161(266)120(58-63-148(252)253)212-158(263)101(10)207-160(265)115(194)74-107-48-52-112(244)53-49-107)182(287)209-102(11)159(264)211-118(42-26-29-67-192)164(269)223-131(81-151(258)259)175(280)214-119(43-27-30-68-193)169(274)232-154(98(7)15-2)183(288)226-130(79-110-84-197-94-204-110)174(279)217-122(57-62-143(196)247)166(271)215-121(56-61-142(195)246)165(270)216-123(59-64-149(254)255)167(272)220-126(75-105-35-19-17-20-36-105)171(276)218-124(60-65-150(256)257)168(273)222-129(78-109-83-199-116-40-24-23-39-114(109)116)173(278)219-125(73-96(4)5)170(275)213-117(41-25-28-66-191)163(268)208-100(9)157(262)201-86-144(248)200-87-146(250)210-133(80-111-85-198-95-205-111)187(292)235-69-31-44-138(235)180(285)228-134(90-239)162(267)203-88-145(249)206-103(12)186(291)237-71-33-46-140(237)189(294)238-72-34-47-141(238)188(293)236-70-32-45-139(236)181(286)230-137(93-242)190(295)296/h17-24,35-40,48-55,83-85,94-104,115,117-141,153-156,199,239-245H,14-16,25-34,41-47,56-82,86-93,191-194H2,1-13H3,(H2,195,246)(H2,196,247)(H,197,204)(H,198,205)(H,200,248)(H,201,262)(H,202,266)(H,203,267)(H,206,249)(H,207,265)(H,208,268)(H,209,287)(H,210,250)(H,211,264)(H,212,263)(H,213,275)(H,214,280)(H,215,271)(H,216,270)(H,217,279)(H,218,276)(H,219,278)(H,220,272)(H,221,281)(H,222,273)(H,223,269)(H,224,283)(H,225,290)(H,226,288)(H,227,277)(H,228,285)(H,229,289)(H,230,286)(H,231,251)(H,232,274)(H,233,282)(H,234,284)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,295,296)/t97-,98-,99-,100-,101-,102-,103-,104+,115-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,153-,154-,155-,156-/m0/s1
InChIKey
NENIQMIBPZMVNJ-OHTRBNIPSA-N
Pharmaceutical Properties
Molecule Weight
4160.576
Polar area
1670.36
Complexity
4158.012309
xlogp Value
-16.0003
Heavy Count
296
Rot Bonds
140
Hbond acc
58
Hbond Donor
55
Each Peptide-drug Conjugate Related to This Peptide