motilin-(2-22) (human)   Click here for help

GtoPdb Ligand ID: 1464

Synonyms: motilin2-22 (human)
Comment: Synthetic fragment of human motilin
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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)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCN=C(N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N)CCSC)CCC(=O)N)CCC(=O)O
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
InChI InChI=1S/C111H179N33O34S/c1-9-58(6)89(142-105(173)78-26-19-48-144(78)108(176)88(118)57(4)5)106(174)141-76(51-60-20-11-10-12-21-60)104(172)143-90(59(7)145)107(175)140-75(52-61-27-29-62(146)30-28-61)92(160)126-54-83(151)127-67(34-40-85(153)154)96(164)138-74(50-56(2)3)102(170)136-69(32-38-80(115)148)97(165)131-65(24-17-46-123-110(119)120)94(162)137-72(43-49-179-8)101(169)133-68(31-37-79(114)147)98(166)135-71(36-42-87(157)158)99(167)130-64(23-14-16-45-113)93(161)134-70(35-41-86(155)156)100(168)132-66(25-18-47-124-111(121)122)95(163)139-77(53-82(117)150)103(171)129-63(22-13-15-44-112)91(159)125-55-84(152)128-73(109(177)178)33-39-81(116)149/h10-12,20-21,27-30,56-59,63-78,88-90,145-146H,9,13-19,22-26,31-55,112-113,118H2,1-8H3,(H2,114,147)(H2,115,148)(H2,116,149)(H2,117,150)(H,125,159)(H,126,160)(H,127,151)(H,128,152)(H,129,171)(H,130,167)(H,131,165)(H,132,168)(H,133,169)(H,134,161)(H,135,166)(H,136,170)(H,137,162)(H,138,164)(H,139,163)(H,140,175)(H,141,174)(H,142,173)(H,143,172)(H,153,154)(H,155,156)(H,157,158)(H,177,178)(H4,119,120,123)(H4,121,122,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,88-,89-,90-/m0/s1
InChI Key AAXICBFDLRONSR-YPJUOLRESA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
motilin2-22 (human)
Database Links Click here for help
GtoPdb PubChem SID 135652299
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