(2S)-6-Amino-2-[[(3S)-1-(Carboxymethyl)-2-Oxo-4,5-Dihydro-3H-1-Benzazepin-3-Yl]Amino]Hexanoic Acid
[CAS# 109214-55-3]

Identification

• Name: (2S)-6-Amino-2-[[(3S)-1-(Carboxymethyl)-2-Oxo-4,5-Dihydro-3H-1-Benzazepin-3-Yl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(3S)-1-(Carboxymethyl)-2-Keto-4,5-Dihydro-3H-1-Benzazepin-3-Yl]Amino]Hexanoic Acid; D03758; Libenzapril (Usan)
• Molecular Formula: C₁₈H₂₅N₃O₅
• Molecular Weight: 363.41
• CAS Registry Number: 109214-55-3
• SMILES: [C@H]1(C(N(C2=C(CC1)C=CC=C2)CC(O)=O)=O)N[C@@H](CCCCN)C(O)=O
• InChI: 1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1
• InChIKey: AXTCRUUITQKBAV-KBPBESRZSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 692.941°C at 760 mmHg (Cal.)
• Flash point: 372.878°C (Cal.)