Benzyloxycarbonylalanyl-Alanyl-Phenylalanine-4-Nitroanilide
[CAS# 61043-35-4]

Identification

• Name: Benzyloxycarbonylalanyl-Alanyl-Phenylalanine-4-Nitroanilide
• Synonyms: Phenylmethyl N-[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-3-Phenyl-Propanoyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamate; N-[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-2-Keto-2-[[(1S)-2-Keto-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-3-Phenyl-Propanoyl]Amino]Ethyl]Amino]-1-Methyl-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₉H₃₁N₅O₇
• Molecular Weight: 561.59
• CAS Registry Number: 61043-35-4
• SMILES: [C@@H](NC1=CC=C([N+]([O-])=O)C=C1)(C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(OCC2=CC=CC=C2)=O)C)C)CC3=CC=CC=C3
• InChI: 1S/C29H31N5O7/c1-19(30-26(35)20(2)31-29(38)41-18-22-11-7-4-8-12-22)27(36)33-28(37)25(17-21-9-5-3-6-10-21)32-23-13-15-24(16-14-23)34(39)40/h3-16,19-20,25,32H,17-18H2,1-2H3,(H,30,35)(H,31,38)(H,33,36,37)/t19-,20-,25-/m0/s1
• InChIKey: HEMIULDHJGFMKP-RLSLOFABSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 862.931°C at 760 mmHg (Cal.)
• Flash point: 475.684°C (Cal.)