VX 765
(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Molecular Identity
VX 765
(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
PubChem CID: 11398092
Belnacasan is a dipeptide.
2D Structure
Properties
C24H33ClN4O6
Molecular Formula
509.00
Molecular Weight
g/mol
508.2089
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
140
TPSA
May have limited oral absorption
3
H-Bond Donors
7
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1C(CC(=O)O1)NC(=O)C2CCCN2C(=O)C(C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)ClIsomeric SMILES
SMILES: CCO[C@H]1[C@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)ClSynonyms(20)
273404-37-8BELNACASANVX-765belcanasanVX 765(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide00OLE78529L-Prolinamide, N-(4-amino-3-chlorobenzoyl)-3-methyl-l-valyl-N-((2R,3S)-2-ethoxytetrahydro-5-oxo-3-furanyl)-belnacasanum(2S)-1-((2S)-2-((4-amino-3-chlorobenzoyl)amino)-3,3-dimethylbutanoyl)-N-((2R,3S)-2-ethoxy-5-oxooxolan-3-yl)pyrrolidine-2-carboxamideL-Prolinamide, N-(4-amino-3-chlorobenzoyl)-3-methyl-L-valyl-N-[(2R,3S)-2-ethoxytetrahydro-5-oxo-3-furanyl]-RefChem:116925(S)-1-((S)-2-1((-(4-amino-3-chloro-phenyl)-methanoyl)-amino)-3,3-dimethyl-butanoyl)-pyrrolidine-2-carboxylic acid ((2R,3S)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide(S)-3-((1-((S)-1-((S)-2-((1-(4-amino-3-chlorophenyl)methanoyl)amino)-3,3-dimethyl-butanoyl)pyrrolidin-2yl)methanoyl)amino)-4-oxo-butyric acid1-((2S)-2-((4-AMINO-3-CHLOROBENZOYL)AMINO)-3,3-DIMETHYLBUTANOYL)-N-((2R,3S)-2-ETHOXY-5-OXO-TETRAHYDROFURAN-3-YL)-L-PROLINAMIDE
Data from PubChem (NCBI)
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