Benzyloxycarbonylphenylalanine 4-Methylcoumaryl-7-Ester
[CAS# 99678-18-9]

Identification

• Name: Benzyloxycarbonylphenylalanine 4-Methylcoumaryl-7-Ester
• Synonyms: (4-Methyl-2-Oxo-Chromen-7-Yl) (2S)-3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoate; (2S)-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropanoic Acid (4-Methyl-2-Oxo-7-Chromenyl) Ester; (2S)-2-(Benzyloxycarbonylamino)-3-Phenyl-Propionic Acid (2-Keto-4-Meth
• Molecular Formula: C₂₇H₂₃NO₆
• Molecular Weight: 457.48
• CAS Registry Number: 99678-18-9
• SMILES: [C@@H](NC(OCC1=CC=CC=C1)=O)(C(OC2=CC=C3C(=C2)OC(=O)C=C3C)=O)CC4=CC=CC=C4
• InChI: 1S/C27H23NO6/c1-18-14-25(29)34-24-16-21(12-13-22(18)24)33-26(30)23(15-19-8-4-2-5-9-19)28-27(31)32-17-20-10-6-3-7-11-20/h2-14,16,23H,15,17H2,1H3,(H,28,31)/t23-/m0/s1
• InChIKey: JGQVYOGORCXLAA-QHCPKHFHSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 674.756°C at 760 mmHg (Cal.)
• Flash point: 361.88°C (Cal.)