compound 8d [PMID: 24999562]   Click here for help

GtoPdb Ligand ID: 7926

Comment: Derivative of NmU-C-terminal heptapeptide, selective NMU1 agonist.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1
Isomeric SMILES NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1
InChI InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1
InChI Key HPJGEESDHAUUQR-SKGSPYGFSA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 249565609
PubChem CID 91623352
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