(2S)-N-[2-[(2-Amino-2-Methylpropanoyl)Amino]Acetyl]-N-[(2S)-2-[(2,4-Dinitrophenyl)Amino]-3-Methylbutanoyl]-4-Methyl-2-[(4-Nitrophenyl)Amino]Pentanamide
[CAS# 141949-33-9]

Identification

• Name: (2S)-N-[2-[(2-Amino-2-Methylpropanoyl)Amino]Acetyl]-N-[(2S)-2-[(2,4-Dinitrophenyl)Amino]-3-Methylbutanoyl]-4-Methyl-2-[(4-Nitrophenyl)Amino]Pentanamide
• Synonyms: (2S)-N-[2-[(2-Amino-2-Methyl-Propanoyl)Amino]Acetyl]-N-[(2S)-2-[(2,4-Dinitrophenyl)Amino]-3-Methyl-Butanoyl]-4-Methyl-2-[(4-Nitrophenyl)Amino]Pentanamide; (2S)-N-[2-[(2-Amino-2-Methyl-1-Oxopropyl)Amino]-1-Oxoethyl]-N-[(2S)-2-[(2,4-Dinitrophenyl)Amino]-3-Methyl-1-Oxobutyl]-4-Methyl-2-[(4-Nitrophenyl)Amino]Pentanamide; (2S)-N-[2-[(2-Amino-2-Methyl-Propanoyl)Amino]Acetyl]-N-[(2S)-2-[(2,4-Dinitrophenyl)Amino]-3-Methyl-Butanoyl]-4-Methyl-2-[(4-Nitrophenyl)Amino]Valeramide
• Molecular Formula: C₂₉H₃₈N₈O₁₀
• Molecular Weight: 658.67
• CAS Registry Number: 141949-33-9
• SMILES: [C@@H](NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)(C(=O)N(C(=O)[C@@H](NC2=CC=C([N+]([O-])=O)C=C2)CC(C)C)C(=O)CNC(=O)C(N)(C)C)C(C)C
• InChI: 1S/C29H38N8O10/c1-16(2)13-22(32-18-7-9-19(10-8-18)35(42)43)26(39)34(24(38)15-31-28(41)29(5,6)30)27(40)25(17(3)4)33-21-12-11-20(36(44)45)14-23(21)37(46)47/h7-12,14,16-17,22,25,32-33H,13,15,30H2,1-6H3,(H,31,41)/t22-,25-/m0/s1
• InChIKey: RYVVRECFFFTDHR-DHLKQENFSA-N

Properties

• Density: 1.366g/cm³ (Cal.)