N-Benzoyl-Ile-Glu-Gly-Arg 4-Nitroanilide Hydrochloride
[CAS# 60457-00-3]

Identification

• Name: N-Benzoyl-Ile-Glu-Gly-Arg 4-Nitroanilide Hydrochloride
• Synonyms: (4S)-4-[[(2S,3S)-2-Benzamido-3-Methyl-Pentanoyl]Amino]-5-[[2-[[(1S)-4-Guanidino-1-[(4-Nitrophenyl)Carbamoyl]Butyl]Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid Hydrochloride; (4S)-4-[[(2S,3S)-2-Benzamido-3-Methyl-1-Oxopentyl]Amino]-5-[[2-[[(1S)-4-Guanidino-1-[[(4-Nitrophenyl)Amino]-Oxomethyl]Butyl]Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid Hydrochloride; (4S)-4-[[(2S,3S)-2-Benzamido-3-Methyl-Pentanoyl]Amino]-5-[[2-[[(1S)-4-Guanidino-1-[(4-Nitrophenyl)Carbamoyl]Butyl]Amino]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid Hydrochloride
• Molecular Formula: C₃₂H₄₄ClN₉O₉
• Molecular Weight: 734.21
• CAS Registry Number: 60457-00-3
• SMILES: [C@@H]([C@H](NC(=O)C1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C([N+]([O-])=O)C=C2)(CC)C.[H+].[Cl-]
• InChI: 1S/C32H43N9O9.ClH/c1-3-19(2)27(40-28(45)20-8-5-4-6-9-20)31(48)39-24(15-16-26(43)44)29(46)36-18-25(42)38-23(10-7-17-35-32(33)34)30(47)37-21-11-13-22(14-12-21)41(49)50;/h4-6,8-9,11-14,19,23-24,27H,3,7,10,15-18H2,1-2H3,(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,40,45)(H,43,44)(H4,33,34,35);1H/t19-,23-,24-,27-;/m0./s1
• InChIKey: KQJTXYQXRHCWKW-PJSBSAQXSA-N

Properties

• Boiling point: 1143°C at 760 mmHg (Cal.)
• Flash point: 645.1°C (Cal.)