[(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
[CAS# 94793-95-0]

Identification

• Name: [(3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
• Synonyms: (S)-(3-N-Boc-Amino-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetic acid; (S)-(3-tert-Butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetic acid
• Molecular Formula: C₁₇H₂₂N₂O₅
• Molecular Weight: 334.37
• CAS Registry Number: 94793-95-0
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C1=O)CC(=O)O
• InChI: 1S/C17H22N2O5/c1-17(2,3)24-16(23)18-12-9-8-11-6-4-5-7-13(11)19(15(12)22)10-14(20)21/h4-7,12H,8-10H2,1-3H3,(H,18,23)(H,20,21)/t12-/m0/s1
• InChIKey: OENYEYMNWZNKEX-LBPRGKRZSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 603.567°C at 760 mmHg (Cal.)
• Flash point: 318.826°C (Cal.)