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Chemical structure of CH 5450

GC35670

CH 5450

Also known as (4S)-5-[(2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid

CH 5450 (Z-Ile-Glu-Pro-Phe-Ome) is a selective short peptide human cardiac chymase inhibitor

ChemicalCAS252557-97-4MW652.73FormulaC34H44N4O9
CAS number
252557-97-4
Molecular weight
652.73
Formula
C34H44N4O9
Solubility
DMSO： ≥ 43 mg/mL (65·88 mM)
InChIKey
NQFWNRFKRYMGAI-OXHJWIHTSA-N
Catalogue number
GC35670
Brand
GLPBIO
Computed properties PubChem CID 10032234 · XLogP 3.7 · TPSA 180 Ų · H-bond donors 4
XLogP
3.7
TPSA
180 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
18
Heavy atoms
47

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

Computed descriptors from PubChem (CID 10032234), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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