4-[[(2S)-1-[[(2S)-1-[(4-Nitrophenyl)-[(2S)-1-Oxo-3-Phenyl-1-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Propan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 128802-73-3]

Identification

• Name: 4-[[(2S)-1-[[(2S)-1-[(4-Nitrophenyl)-[(2S)-1-Oxo-3-Phenyl-1-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Propan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1S)-1-Methyl-2-[[(1S)-2-[(4-Nitrophenyl)-[(1S)-2-Oxo-1-(Phenylmethyl)-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-1-Methyl-2-[[(1S)-2-[(4-Nitrophenyl)-[(1S)-2-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-Keto-2-(Prolylamino)Ethyl]-(4-Nitrophenyl)Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₆H₄₀N₆O₉
• Molecular Weight: 700.75
• CAS Registry Number: 128802-73-3
• SMILES: [C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)C)CC1=CC=CC=C1)C2=CC=C([N+]([O-])=O)C=C2)(C(=O)NC(=O)[C@H]3NCCC3)CC4=CC=CC=C4
• InChI: 1S/C36H40N6O9/c1-23(38-31(43)18-19-32(44)45)33(46)39-29(21-24-9-4-2-5-10-24)36(49)41(26-14-16-27(17-15-26)42(50)51)30(22-25-11-6-3-7-12-25)35(48)40-34(47)28-13-8-20-37-28/h2-7,9-12,14-17,23,28-30,37H,8,13,18-22H2,1H3,(H,38,43)(H,39,46)(H,44,45)(H,40,47,48)/t23-,28-,29-,30-/m0/s1
• InChIKey: AXCXJCIVUCYJKW-SUFMYBPMSA-N
• Protein Sequence: Suc-Ala-Phe-Pro-Phe-pNA

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 1032.584°C at 760 mmHg (Cal.)
• Flash point: 578.286°C (Cal.)