variant MCH   Click here for help

GtoPdb Ligand ID: 1302

Synonyms: variant melanin-concentraing hormone
Comment: Synthetic analogue of MCH
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(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)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)Cc1c[nH]c2c1cccc2)CS)CO)CCC(=O)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1)CC(=O)O)CC(C)C)CO)CS
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C
InChI InChI=1S/C98H147N25O30S3/c1-46(2)33-62(112-83(138)61(30-32-156-10)110-93(148)70(44-154)119-92(147)69(43-125)118-86(141)63(34-47(3)4)115-96(151)79(50(9)126)123-90(145)67(39-76(133)134)114-88(143)64(35-51-17-12-11-13-18-51)111-80(135)56(99)38-75(131)132)81(136)106-41-74(130)107-58(21-16-31-104-98(102)103)84(139)121-77(48(5)6)95(150)116-65(36-52-22-24-54(127)25-23-52)87(142)108-59(26-28-72(100)128)82(137)117-68(42-124)91(146)120-71(45-155)94(149)113-66(37-53-40-105-57-20-15-14-19-55(53)57)89(144)109-60(27-29-73(101)129)85(140)122-78(49(7)8)97(152)153/h11-15,17-20,22-25,40,46-50,56,58-71,77-79,105,124-127,154-155H,16,21,26-39,41-45,99H2,1-10H3,(H2,100,128)(H2,101,129)(H,106,136)(H,107,130)(H,108,142)(H,109,144)(H,110,148)(H,111,135)(H,112,138)(H,113,149)(H,114,143)(H,115,151)(H,116,150)(H,117,137)(H,118,141)(H,119,147)(H,120,146)(H,121,139)(H,122,140)(H,123,145)(H,131,132)(H,133,134)(H,152,153)(H4,102,103,104)/t50-,56+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,77+,78+,79+/m1/s1
InChI Key OLHBYHJFEIBGCZ-HUSDBPEESA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
variant melanin-concentraing hormone
Database Links Click here for help
GtoPdb PubChem SID 135652632
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