CPN-267   Click here for help

GtoPdb Ligand ID: 10380

Synonyms: analogue 7b [PMID: 28548497] | C-terminal core peptide derivative of neuromedin U, bearing (α-Me)Trp2 | NMUR1 agonist C7b
Comment: CPN-267 is a Neuromedin U receptor 1 (NMUR1) selective agonist [1]. It is a hexapeptide based on the C-terminal core peptide of human neuromedin U. α-methylation of the Trp residue at position 3 improves the peptide's agonistic activity and its selectivity for NMUR1.
The HELM annotation for the hexapaptide is: PEPTIDE1{[*C(=O)Cc1cccs1 |$_R2;;;;;;;;$|].W.[*C(=O)[C@](C)(Cc1c[nH]c2c1cccc2)N* |$_R2;;;;;;;;;;;;;;;;_R1$|].R.P.R.N.[am]}$$$$, and the IUPAC condensed name is deamino-Gly(thien-2-yl)-Trp-aMeTrp-Arg-Pro-Arg-Asn-NH2 (both from PubChem).
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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(Cc1c[nH]c2c1cccc2)(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C
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@](Cc1c[nH]c2c1cccc2)(NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C
InChI InChI=1S/C50H66N16O8S/c1-50(25-29-27-60-34-14-5-3-12-32(29)34,65-44(71)38(61-41(68)23-30-10-9-21-75-30)22-28-26-59-33-13-4-2-11-31(28)33)47(74)64-36(16-7-19-58-49(55)56)46(73)66-20-8-17-39(66)45(72)62-35(15-6-18-57-48(53)54)43(70)63-37(42(52)69)24-40(51)67/h2-5,9-14,21,26-27,35-39,59-60H,6-8,15-20,22-25H2,1H3,(H2,51,67)(H2,52,69)(H,61,68)(H,62,72)(H,63,70)(H,64,74)(H,65,71)(H4,53,54,57)(H4,55,56,58)/t35-,36-,37-,38-,39-,50-/m0/s1
InChI Key HIFICJJBGBSZMZ-YWIJTBFMSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
deamino-2-thien-2-yl-glycyl-L-tryptophyl-alpha-methyl-L-tryptophyl-L-arginyl-L-prolyl-L-arginyl-L-asparaginamide
Synonyms Click here for help
analogue 7b [PMID: 28548497] | C-terminal core peptide derivative of neuromedin U, bearing (α-Me)Trp2 | NMUR1 agonist C7b
Database Links Click here for help
GtoPdb PubChem SID 387271626
PubChem CID 132585191
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