4-[[(2S)-5-Amino-1-[[(2S)-3-Methyl-1-[[(2S)-3-Methyl-1-[[(2S)-1-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-1,5-Dioxopentan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 115700-57-7]

Identification

• Name: 4-[[(2S)-5-Amino-1-[[(2S)-3-Methyl-1-[[(2S)-3-Methyl-1-[[(2S)-1-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-1,5-Dioxopentan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1S)-4-Amino-1-[[(1S)-2-Methyl-1-[[(1S)-2-Methyl-1-[[(1S)-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Propyl]Carbamoyl]Propyl]Carbamoyl]-4-Oxo-Butyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-4-Amino-1-[[[(1S)-2-Methyl-1-[[[(1S)-2-Methyl-1-[[[(1S)-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-1-Oxopropyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]Propyl]Amino]-Oxomethyl]Propyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-4-Amino-4-Keto-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-Keto-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₁H₄₆N₈O₁₁
• Molecular Weight: 706.75
• CAS Registry Number: 115700-57-7
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CCC(=O)N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC1=CC=C([N+]([O-])=O)C=C1)C)C)C(C)C)C(C)C
• InChI: 1S/C31H46N8O11/c1-15(2)25(30(47)34-18(6)28(45)38-27(44)17(5)33-19-7-9-20(10-8-19)39(49)50)37-31(48)26(16(3)4)36-29(46)21(11-12-22(32)40)35-23(41)13-14-24(42)43/h7-10,15-18,21,25-26,33H,11-14H2,1-6H3,(H2,32,40)(H,34,47)(H,35,41)(H,36,46)(H,37,48)(H,42,43)(H,38,44,45)/t17-,18-,21-,25-,26-/m0/s1
• InChIKey: WBDGGLSTSBMUNK-KUSQARDDSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 1147.554°C at 760 mmHg (Cal.)
• Flash point: 647.817°C (Cal.)