N-(Trifluoroacetyl)-L-alanyl-N-(4-nitrophenyl)-L-Alaninamide
[CAS# 68739-16-2]

Identification

• Name: N-(Trifluoroacetyl)-L-alanyl-N-(4-nitrophenyl)-L-Alaninamide
• Synonyms: (2S)-2-[(4-Nitrophenyl)Amino]-N-[(2S)-1-Oxo-2-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Propyl]Propanamide; 2,2,2-Trifluoro-N-[(1S)-2-Keto-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]Ethyl]Acetamide; (2S)-2-[(4-Nitrophenyl)Amino]-N-[(2S)-2-(2,2,2-Trifluoroethanoylamino)Propanoyl]Propanamide
• Molecular Formula: C₁₄H₁₅F₃N₄O₅
• Molecular Weight: 376.29
• CAS Registry Number: 68739-16-2
• SMILES: [C@@H](NC(=O)C(F)(F)F)(C(=O)NC(=O)[C@@H](NC1=CC=C([N+]([O-])=O)C=C1)C)C
• InChI: 1S/C14H15F3N4O5/c1-7(18-9-3-5-10(6-4-9)21(25)26)11(22)20-12(23)8(2)19-13(24)14(15,16)17/h3-8,18H,1-2H3,(H,19,24)(H,20,22,23)/t7-,8-/m0/s1
• InChIKey: JGIBDPDQDQAOMR-YUMQZZPRSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 582.118°C at 760 mmHg (Cal.)
• Flash point: 305.854°C (Cal.)