K31440   

GtoPdb Ligand ID: 3890

Synonyms: Ac-(D-Tyr11,His12,Nle17)sauvagine(11-40) | K 31440 | K-31440
2D Structure
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SMILES / InChI / InChIKey
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)NC(C(CC)C)C(=O)O)C(O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)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(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1c[nH]cn1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=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)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)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](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)Cc1c[nH]cn1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O
InChI InChI=1S/C156H264N46O47/c1-20-80(14)122(199-140(234)93(36-26-30-60-160)180-133(227)94(37-31-61-172-155(167)168)181-142(236)103(63-75(4)5)193-145(239)106(66-78(10)11)196-147(241)108(69-87-73-171-74-174-87)191-128(222)89(161)68-86-39-41-88(204)42-40-86)152(246)189-102(49-56-120(216)217)141(235)200-123(81(15)21-2)151(245)188-101(48-55-119(214)215)139(233)179-91(34-24-28-58-158)131(225)185-98(45-52-114(164)207)136(230)187-100(47-54-118(212)213)138(232)178-92(35-25-29-59-159)132(226)186-99(46-53-117(210)211)137(231)177-90(33-23-27-57-157)130(224)184-97(44-51-113(163)206)135(229)183-96(43-50-112(162)205)129(223)176-83(17)126(220)175-84(18)127(221)190-109(70-115(165)208)149(243)197-110(71-116(166)209)148(242)182-95(38-32-62-173-156(169)170)134(228)192-104(64-76(6)7)143(237)194-105(65-77(8)9)144(238)195-107(67-79(12)13)146(240)198-111(72-121(218)219)150(244)202-125(85(19)203)153(247)201-124(154(248)249)82(16)22-3/h39-42,73-85,89-111,122-125,203-204H,20-38,43-72,157-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,207)(H2,165,208)(H2,166,209)(H,171,174)(H,175,220)(H,176,223)(H,177,231)(H,178,232)(H,179,233)(H,180,227)(H,181,236)(H,182,242)(H,183,229)(H,184,224)(H,185,225)(H,186,226)(H,187,230)(H,188,245)(H,189,246)(H,190,221)(H,191,222)(H,192,228)(H,193,239)(H,194,237)(H,195,238)(H,196,241)(H,197,243)(H,198,240)(H,199,234)(H,200,235)(H,201,247)(H,202,244)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,248,249)(H4,167,168,172)(H4,169,170,173)/t80-,81-,82-,83-,84-,85+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-/m0/s1
InChI Key MTYZMMGEGHDKQA-WQJRYCLWSA-N
Classification
Compound class Peptide or derivative
Synonyms
Ac-(D-Tyr11,His12,Nle17)sauvagine(11-40) | K 31440 | K-31440
Database Links
CAS Registry No. 434938-37-1 (source: Scifinder)
GtoPdb PubChem SID 178100726
Search Google for chemical match using the InChIKey MTYZMMGEGHDKQA-WQJRYCLWSA-N
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Search UniChem for chemical match using the InChIKey MTYZMMGEGHDKQA-WQJRYCLWSA-N
Search UniChem for chemicals with the same backbone MTYZMMGEGHDKQA