(4S)-4-[[(2S,3S)-2-Acetamido-3-Methylpentanoyl]Amino]-5-[(2S)-2-[[(2S)-4-Hydroxy-1-[(4-Nitrophenyl)Amino]-1,4-Dioxobutan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-5-Oxopentanoic Acid
[CAS# 216757-29-8]

Identification

• Name: (4S)-4-[[(2S,3S)-2-Acetamido-3-Methylpentanoyl]Amino]-5-[(2S)-2-[[(2S)-4-Hydroxy-1-[(4-Nitrophenyl)Amino]-1,4-Dioxobutan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-[[(2S,3S)-2-Acetamido-3-Methyl-Pentanoyl]Amino]-5-[(2S)-2-[[(1S)-3-Hydroxy-1-[(4-Nitrophenyl)Carbamoyl]-3-Oxo-Propyl]Carbamoyl]Pyrrolidin-1-Yl]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S,3S)-2-Acetamido-3-Methyl-1-Oxopentyl]Amino]-5-[(2S)-2-[[[(1S)-3-Hydroxy-1-[[(4-Nitrophenyl)Amino]-Oxomethyl]-3-Oxopropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-5-Oxopentanoic Acid; (4S)-4-[[(2S,3S)-2-Acetamido-3-Methyl-Pentanoyl]Amino]-5-[(2S)-2-[[(1S)-3-Hydroxy-3-Keto-1-[(4-Nitrophenyl)Carbamoyl]Propyl]Carbamoyl]Pyrrolidin-1-Yl]-5-Keto-Valeric Acid
• Molecular Formula: C₂₈H₃₈N₆O₁₁
• Molecular Weight: 634.64
• CAS Registry Number: 216757-29-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)[C@H](CC)C)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC2=CC=C([N+]([O-])=O)C=C2
• InChI: 1S/C28H38N6O11/c1-4-15(2)24(29-16(3)35)27(42)31-19(11-12-22(36)37)28(43)33-13-5-6-21(33)26(41)32-20(14-23(38)39)25(40)30-17-7-9-18(10-8-17)34(44)45/h7-10,15,19-21,24H,4-6,11-14H2,1-3H3,(H,29,35)(H,30,40)(H,31,42)(H,32,41)(H,36,37)(H,38,39)/t15-,19-,20-,21-,24-/m0/s1
• InChIKey: YXEIIOVAGGAMCZ-NYMCBPKFSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 1096.932°C at 760 mmHg (Cal.)
• Flash point: 617.202°C (Cal.)