[125I]secretin (pig)   Click here for help

GtoPdb Ligand ID: 1153

 Ligand is labelled  Ligand is radioactive
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OCC(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)N)C(C)C)CC(C)C)CCC(=O)N)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)N)CC(C)C)CCCN=C(N)N)C)CO)CC(=O)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)Cc1ccccc1)CO)CCC(=O)O)CC(C)C
Isomeric SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)C
InChI InChI=1S/C130H220N44O41/c1-59(2)41-79(119(208)173-99(65(13)14)102(134)191)152-94(183)52-148-105(194)76(31-34-92(132)181)157-114(203)82(44-62(7)8)164-116(205)83(45-63(9)10)162-108(197)73(28-22-38-145-128(137)138)154-111(200)77(32-35-93(133)182)158-115(204)81(43-61(5)6)160-107(196)72(27-21-37-144-127(135)136)153-103(192)66(15)151-121(210)88(54-175)169-118(207)87(50-98(189)190)166-110(199)74(29-23-39-146-129(139)140)155-113(202)80(42-60(3)4)161-109(198)75(30-24-40-147-130(141)142)156-122(211)90(56-177)170-117(206)84(46-64(11)12)163-112(201)78(33-36-96(185)186)159-123(212)91(57-178)171-126(215)101(68(17)180)174-120(209)85(47-69-25-19-18-20-26-69)167-125(214)100(67(16)179)172-95(184)53-149-106(195)86(49-97(187)188)165-124(213)89(55-176)168-104(193)71(131)48-70-51-143-58-150-70/h18-20,25-26,51,58-68,71-91,99-101,175-180H,21-24,27-50,52-57,131H2,1-17H3,(H2,132,181)(H2,133,182)(H2,134,191)(H,143,150)(H,148,194)(H,149,195)(H,151,210)(H,152,183)(H,153,192)(H,154,200)(H,155,202)(H,156,211)(H,157,203)(H,158,204)(H,159,212)(H,160,196)(H,161,198)(H,162,197)(H,163,201)(H,164,205)(H,165,213)(H,166,199)(H,167,214)(H,168,193)(H,169,207)(H,170,206)(H,171,215)(H,172,184)(H,173,208)(H,174,209)(H,185,186)(H,187,188)(H,189,190)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)/t66-,67+,68+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-/m0/s1
InChI Key JWQZOTGHUDZFMU-WIDFLDSMSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
DrugCentral Ligand 5198
GtoPdb PubChem SID 135652557
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