K41498   Click here for help

GtoPdb Ligand ID: 3891

Synonyms: [D-Phe11,His12,Nle17]sauvagine(11-40) | K 41498 | K-41498
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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)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(Cc1ccccc1)N)Cc1nc[nH]c1)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](Cc1ccccc1)N)Cc1nc[nH]c1)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/C156H264N46O46/c1-20-81(14)122(199-140(233)93(41-29-33-61-160)180-133(226)94(42-34-62-172-155(167)168)181-142(235)103(64-76(4)5)193-145(238)106(67-79(10)11)196-147(240)108(70-88-74-171-75-174-88)191-128(221)89(161)69-87-36-24-23-25-37-87)152(245)189-102(50-57-120(215)216)141(234)200-123(82(15)21-2)151(244)188-101(49-56-119(213)214)139(232)179-91(39-27-31-59-158)131(224)185-98(46-53-114(164)206)136(229)187-100(48-55-118(211)212)138(231)178-92(40-28-32-60-159)132(225)186-99(47-54-117(209)210)137(230)177-90(38-26-30-58-157)130(223)184-97(45-52-113(163)205)135(228)183-96(44-51-112(162)204)129(222)176-84(17)126(219)175-85(18)127(220)190-109(71-115(165)207)149(242)197-110(72-116(166)208)148(241)182-95(43-35-63-173-156(169)170)134(227)192-104(65-77(6)7)143(236)194-105(66-78(8)9)144(237)195-107(68-80(12)13)146(239)198-111(73-121(217)218)150(243)202-125(86(19)203)153(246)201-124(154(247)248)83(16)22-3/h23-25,36-37,74-86,89-111,122-125,203H,20-22,26-35,38-73,157-161H2,1-19H3,(H2,162,204)(H2,163,205)(H2,164,206)(H2,165,207)(H2,166,208)(H,171,174)(H,175,219)(H,176,222)(H,177,230)(H,178,231)(H,179,232)(H,180,226)(H,181,235)(H,182,241)(H,183,228)(H,184,223)(H,185,224)(H,186,225)(H,187,229)(H,188,244)(H,189,245)(H,190,220)(H,191,221)(H,192,227)(H,193,238)(H,194,236)(H,195,237)(H,196,240)(H,197,242)(H,198,239)(H,199,233)(H,200,234)(H,201,246)(H,202,243)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,247,248)(H4,167,168,172)(H4,169,170,173)/t81-,82-,83-,84-,85-,86+,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 NXDTZPDUWWAHAM-JXLAGIIJSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[D-Phe11,His12,Nle17]sauvagine(11-40) | K 41498 | K-41498
Database Links Click here for help
GtoPdb PubChem SID 178100727
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