CPN-223   Click here for help

GtoPdb Ligand ID: 11492

Synonyms: analogue 8 [PMID: 32721452]
Comment: CPN-223 is a neuromedin U receptor 1 (NMUR1) partial agonist [1]. It has been optimised for NMUR1-selectivity and serum stability.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical 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](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1
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](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1
InChI InChI=1S/C59H75N15O8/c60-50(75)35-47(52(61)77)72-53(78)44(17-8-30-67-58(62)63)70-56(81)49-19-10-32-74(49)57(82)46(18-9-31-68-59(64)65)71-55(80)48(34-38-22-26-42(27-23-38)40-13-2-1-3-14-40)73-54(79)45(69-51(76)20-6-11-39-12-7-29-66-36-39)28-24-37-21-25-41-15-4-5-16-43(41)33-37/h1-5,7,12-16,21-23,25-27,29,33,36,44-49H,6,8-11,17-20,24,28,30-32,34-35H2,(H2,60,75)(H2,61,77)(H,69,76)(H,70,81)(H,71,80)(H,72,78)(H,73,79)(H4,62,63,67)(H4,64,65,68)/t44-,45-,46-,47-,48-,49-/m0/s1
InChI Key ZETNXOFZFFDUSA-RRXWZPBSSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-3-{[1,1'-biphenyl]-4-yl}-2-[(2S)-4-(naphthalen-2-yl)-2-[4-(pyridin-3-yl)butanamido]butanamido]propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]butanediamide
Synonyms Click here for help
analogue 8 [PMID: 32721452]
Database Links Click here for help
GtoPdb PubChem SID 440816860
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