4-[[2-[(1-Hydroxy-1-Oxo-4-Phenylbutan-2-Yl)Amino]-3-Phenylpropanoyl]Amino]Benzoic Acid
[CAS# 140400-20-0]

Identification

• Name: 4-[[2-[(1-Hydroxy-1-Oxo-4-Phenylbutan-2-Yl)Amino]-3-Phenylpropanoyl]Amino]Benzoic Acid
• Synonyms: 4-[[2-[(1-Carboxy-3-Phenyl-Propyl)Amino]-3-Phenyl-Propanoyl]Amino]Benzoic Acid; 4-[[2-[(1-Carboxy-3-Phenylpropyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]Benzoic Acid; 4-[[2-[(1-Hydroxy-1-Oxo-4-Phenyl-Butan-2-Yl)Amino]-3-Phenyl-Propanoyl]Amino]Benzoic Acid
• Molecular Formula: C₂₆H₂₆N₂O₅
• Molecular Weight: 446.50
• CAS Registry Number: 140400-20-0
• SMILES: C1=CC=CC=C1CCC(C(=O)O)NC(C(=O)NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3
• InChI: 1S/C26H26N2O5/c29-24(27-21-14-12-20(13-15-21)25(30)31)23(17-19-9-5-2-6-10-19)28-22(26(32)33)16-11-18-7-3-1-4-8-18/h1-10,12-15,22-23,28H,11,16-17H2,(H,27,29)(H,30,31)(H,32,33)
• InChIKey: PBJMSFZKOFKHIE-UHFFFAOYSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 733.099°C at 760 mmHg (Cal.)
• Flash point: 397.164°C (Cal.)