N-(4-Nitro-1-Cyclohexyl-2-Oxo-3-Pyrrolin-3-Yl)Phenylalanine
[CAS# 52555-26-7]

Identification

• Name: N-(4-Nitro-1-Cyclohexyl-2-Oxo-3-Pyrrolin-3-Yl)Phenylalanine
• Synonyms: (2S)-2-[(1-Cyclohexyl-4-Nitro-2-Oxo-5H-Pyrrol-3-Yl)Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[(1-Cyclohexyl-2-Keto-4-Nitro-3-Pyrrolin-3-Yl)Amino]-3-Phenyl-Propionic Acid; N-(1-Cyclohexyl-2,5-Dihydro-4-Nitro-2-Oxo-1H-Pyrrol-3-Yl)-L-Phenylalanine
• Molecular Formula: C₁₉H₂₃N₃O₅
• Molecular Weight: 373.41
• CAS Registry Number: 52555-26-7
• SMILES: [C@@H](NC1=C([N+]([O-])=O)CN(C1=O)C2CCCCC2)(C(=O)O)CC3=CC=CC=C3
• InChI: 1S/C19H23N3O5/c23-18-17(20-15(19(24)25)11-13-7-3-1-4-8-13)16(22(26)27)12-21(18)14-9-5-2-6-10-14/h1,3-4,7-8,14-15,20H,2,5-6,9-12H2,(H,24,25)/t15-/m0/s1
• InChIKey: DRIAKBPJKXZIJI-HNNXBMFYSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 611.755°C at 760 mmHg (Cal.)
• Flash point: 323.778°C (Cal.)