AV-101
(2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Molecular Identity
AV-101
(2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
PubChem CID: 9859632
2D Structure
Properties
C10H11ClN2O3
Molecular Formula
242.66
Molecular Weight
g/mol
242.0458
Exact Mass
Da
-1.6
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
285
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
AV-101(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acidL-4-chlorokynurenineL-4-CL-KYNJ578.071CUNII-77XLH9L40BBenzenebutanoic acid, alpha,2-diamino-4-chloro-gamma-oxo-, (S)BENZENEBUTANOIC ACID, .ALPHA.,2-DIAMINO-4-CHLORO-.GAMMA.-OXO-, (S)RefChem:115725L-4-C1-KYN153152-32-0(S)-4-Chlorokynurenine77XLH9L40B(S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid3-(4-Chloroanthraniloyl)-DL-alanine
Data from PubChem (NCBI)
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Drug Network
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