(2S)-2-{[(3S)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-4-phenylbutanoic acid
[CAS# 89747-91-1]

Identification

• Name: (2S)-2-{[(3S)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-4-phenylbutanoic acid
• Synonyms: (3S)-3-(((1S)-1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid; 1H-1-Benzazepine-1-acetic acid, 3-(((1S)-1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (3S)-
• Molecular Formula: C₂₂H₂₄N₂O₅
• Molecular Weight: 396.44
• CAS Registry Number: 89747-91-1
• SMILES: C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@@H](CCC3=CC=CC=C3)C(=O)O)CC(=O)O
• InChI: 1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
• InChIKey: MADRIHWFJGRSBP-ROUUACIJSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 711.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 384.0±32.9°C (Cal.)