Benzyloxycarbonylglycyl-Phenylalanyl-Citrulline 4-Nitroanilide
[CAS# 83575-50-2]

Identification

• Name: Benzyloxycarbonylglycyl-Phenylalanyl-Citrulline 4-Nitroanilide
• Synonyms: Phenylmethyl N-[2-[[(1S)-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-5-Ureido-Pentanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Carbamate; N-[2-[[(1S)-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-1-Oxo-5-Ureidopentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[2-[[(1S)-1-(Benzyl)-2-Keto-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-5-Ureido-Pentanoyl]Amino]Ethyl]Amino]-2-Keto-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₃₁H₃₅N₇O₈
• Molecular Weight: 633.66
• CAS Registry Number: 83575-50-2
• SMILES: [C@@H](NC1=CC=C([N+]([O-])=O)C=C1)(C(=O)NC(=O)[C@@H](NC(=O)CNC(OCC2=CC=CC=C2)=O)CC3=CC=CC=C3)CCCNC(=O)N
• InChI: 1S/C31H35N7O8/c32-30(42)33-17-7-12-25(35-23-13-15-24(16-14-23)38(44)45)28(40)37-29(41)26(18-21-8-3-1-4-9-21)36-27(39)19-34-31(43)46-20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26,35H,7,12,17-20H2,(H,34,43)(H,36,39)(H3,32,33,42)(H,37,40,41)/t25-,26-/m0/s1
• InChIKey: DDXCWQDMYVFWAY-UIOOFZCWSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 948.052°C at 760 mmHg (Cal.)
• Flash point: 527.163°C (Cal.)