N-[(Benzyloxy)Carbonyl]-3-Phenyl-L-Alanyl-N5-Carbamoyl-N-(4-Nitrophenyl)-L-Ornithinamide
[CAS# 83590-79-8]

Identification

• Name: N-[(Benzyloxy)Carbonyl]-3-Phenyl-L-Alanyl-N5-Carbamoyl-N-(4-Nitrophenyl)-L-Ornithinamide
• Synonyms: Phenylmethyl N-[(1S)-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-5-Ureido-Pentanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamate; N-[(1S)-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-1-Oxo-5-Ureidopentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-(Benzyl)-2-Keto-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-5-Ureido-Pentanoyl]Amino]Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₉H₃₂N₆O₇
• Molecular Weight: 576.61
• CAS Registry Number: 83590-79-8
• EINECS: 280-505-2
• SMILES: [C@@H](NC1=CC=C([N+]([O-])=O)C=C1)(C(=O)NC(=O)[C@@H](NC(OCC2=CC=CC=C2)=O)CC3=CC=CC=C3)CCCNC(=O)N
• InChI: 1S/C29H32N6O7/c30-28(38)31-17-7-12-24(32-22-13-15-23(16-14-22)35(40)41)26(36)34-27(37)25(18-20-8-3-1-4-9-20)33-29(39)42-19-21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25,32H,7,12,17-19H2,(H,33,39)(H3,30,31,38)(H,34,36,37)/t24-,25-/m0/s1
• InChIKey: QROAVNLCELFCFQ-DQEYMECFSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 843.85°C at 760 mmHg (Cal.)
• Flash point: 464.144°C (Cal.)