human GIP(5-30)NH2   Click here for help

GtoPdb Ligand ID: 8972

Comment: A synthetic truncated variant of gastric inhibitory polypeptide (GIP) which acts as a high affinity competitive GIP receptor antagonist [1].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O
InChI InChI=1S/C182H275N47O51S/c1-17-94(10)148(229-176(273)135(89-231)224-163(260)122(74-102-53-55-106(233)56-54-102)212-171(268)133(83-145(246)247)220-175(272)134(88-230)225-181(278)150(96(12)19-3)228-174(271)124(73-101-42-24-21-25-43-101)221-177(274)146(193)99(15)232)179(276)200-98(14)152(249)203-118(63-69-281-16)159(256)218-130(80-142(240)241)169(266)206-114(51-33-38-67-186)160(257)227-149(95(11)18-2)180(277)222-127(77-105-86-194-90-198-105)166(263)208-116(58-61-137(189)235)157(254)207-117(59-62-138(190)236)158(255)217-131(81-143(242)243)170(267)213-123(72-100-40-22-20-23-41-100)173(270)226-147(93(8)9)178(275)223-129(79-140(192)238)168(265)214-126(76-104-85-196-110-47-29-27-45-108(104)110)165(262)211-121(71-92(6)7)162(259)210-120(70-91(4)5)161(258)199-97(13)151(248)202-115(57-60-136(188)234)156(253)204-111(48-30-35-64-183)153(250)197-87-141(239)201-112(49-31-36-65-184)154(251)205-113(50-32-37-66-185)155(252)216-128(78-139(191)237)167(264)219-132(82-144(244)245)172(269)215-125(75-103-84-195-109-46-28-26-44-107(103)109)164(261)209-119(182(279)280)52-34-39-68-187/h20-29,40-47,53-56,84-86,90-99,111-135,146-150,195-196,230-233H,17-19,30-39,48-52,57-83,87-89,183-187,193H2,1-16H3,(H2,188,234)(H2,189,235)(H2,190,236)(H2,191,237)(H2,192,238)(H,194,198)(H,197,250)(H,199,258)(H,200,276)(H,201,239)(H,202,248)(H,203,249)(H,204,253)(H,205,251)(H,206,266)(H,207,254)(H,208,263)(H,209,261)(H,210,259)(H,211,262)(H,212,268)(H,213,267)(H,214,265)(H,215,269)(H,216,252)(H,217,255)(H,218,256)(H,219,264)(H,220,272)(H,221,274)(H,222,277)(H,223,275)(H,224,260)(H,225,278)(H,226,270)(H,227,257)(H,228,271)(H,229,273)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,146-,147-,148-,149-,150-/m0/s1
InChI Key NEJABMGLOVSGDX-RKHUIQFASA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 310264752
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