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Chemical structure of CPN-219

GC76536

CPN-219

Also known as (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide

CPN-219, a next-generation hexapeptidic NMUR2 agonist, achieves a dose-dependent and selective activation of NMUR2 with an EC50 value of 2·2 nM

ChemicalCAS2240202-02-0MW849.08FormulaC40H72N12O8
CAS number
2240202-02-0
Molecular weight
849.08
Formula
C40H72N12O8
InChIKey
CNNVQJJHHRQWSW-HPMAGDRPSA-N
Catalogue number
GC76536
Brand
GLPBIO
Computed properties PubChem CID 156020813 · XLogP -0.1 · TPSA 342 Ų · H-bond donors 10
XLogP
-0.1
TPSA
342 Ų
H-bond donors
10
H-bond acceptors
10
Rotatable bonds
26
Heavy atoms
60

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)CCC2CCCCC2

Computed descriptors from PubChem (CID 156020813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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