(2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-3-Phenylpropanoyl]-2-[(4-Nitrophenyl)Amino]Hexanamide
[CAS# 76626-36-3]

Identification

• Name: (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-3-Phenylpropanoyl]-2-[(4-Nitrophenyl)Amino]Hexanamide
• Synonyms: (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propanoyl]-2-[(4-Nitrophenyl)Amino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-1-Oxo-3-Phenylpropyl]-2-[(4-Nitrophenyl)Amino]Hexanamide; H-D-Val-Phe-Lys-P-Nitroanilide
• Molecular Formula: C₂₆H₃₆N₆O₅
• Molecular Weight: 512.61
• CAS Registry Number: 76626-36-3
• SMILES: [C@@H](NC(=O)[C@H](N)C(C)C)(C(=O)NC(=O)[C@@H](NC1=CC=C([N+]([O-])=O)C=C1)CCCCN)CC2=CC=CC=C2
• InChI: 1S/C26H36N6O5/c1-17(2)23(28)26(35)30-22(16-18-8-4-3-5-9-18)25(34)31-24(33)21(10-6-7-15-27)29-19-11-13-20(14-12-19)32(36)37/h3-5,8-9,11-14,17,21-23,29H,6-7,10,15-16,27-28H2,1-2H3,(H,30,35)(H,31,33,34)/t21-,22-,23+/m0/s1
• InChIKey: ORXWLYZHKCZVIC-RJGXRXQPSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 799.216°C at 760 mmHg (Cal.)
• Flash point: 437.15°C (Cal.)