Agg-523
(4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
Molecular Identity
Agg-523
(4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
PubChem CID: 16048422
2D Structure
Properties
C28H29FN2O4
Molecular Formula
476.50
Molecular Weight
g/mol
476.2111
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
95.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
706
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CC1=CC=C(C=C1)F)NC(=O)C(CCC(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3Isomeric SMILES
SMILES: CC(C)(CC1=CC=C(C=C1)F)NC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3Synonyms(20)
AGG-523920289-29-8UNII-WO23I2827QWAY-266523WO23I2827QPF-5212371PF-05212371Pentanoic acid, 4-(((1,1'-biphenyl)-4-ylcarbonyl)amino)-5-((2-(4-fluorophenyl)-1,1-dimethylethyl)amino)-5-oxo-, (4S)-4-(S)-(((Biphenyl-4-yl)carbonyl)amino)-4-((2-(4-fluorophenyl)-1,1-dimethylethyl)carbamoyl)butyric acid(4S)-4-(((1,1'-biphenyl)-4-yl)formamido)-4-((1-(4-fluorophenyl)-2-methylpropan-2-yl)carbamoyl)butanoic acid(4S)-4-({[1,1'-biphenyl]-4-yl}formamido)-4-{[1-(4-fluorophenyl)-2-methylpropan-2-yl]carbamoyl}butanoic acidRefChem:110141CHEMBL4859268(4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acidorb1741136
Data from PubChem (NCBI)
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