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Chemical structure of Omapatrilat

GC34019

Omapatrilat

Also listed as Omapatrilat (BMS-186716)

Omapatrilat (BMS-186716) is a dual inhibitor of the metalloproteases ACE and NEP with Ki values of 0·64 and 0·45 nM, respectively

ChemicalCAS167305-00-2MW408.53FormulaC19H24N2O4S2
CAS number
167305-00-2
Molecular weight
408.53
Formula
C19H24N2O4S2
Solubility
DMSO ： ≥ 31 mg/mL (75·88 mM)
InChIKey
LVRLSYPNFFBYCZ-VGWMRTNUSA-N
Catalogue number
GC34019
Brand
GLPBIO
Computed properties PubChem CID 656629 · XLogP 2.8 · TPSA 113 Ų · H-bond donors 3
XLogP
2.8
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

SMILES C1C[C@H](N2[C@H](C1)SCC[C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O

Computed descriptors from PubChem (CID 656629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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