N-[(2S)-1-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]-1-Oxopropan-2-Yl]-3-(Trifluoromethyl)Benzamide
[CAS# 78044-16-3]

Identification

• Name: N-[(2S)-1-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]-1-Oxopropan-2-Yl]-3-(Trifluoromethyl)Benzamide
• Synonyms: N-[(1S)-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]-2-Oxo-Ethyl]-3-(Trifluoromethyl)Benzamide; N-[(1S)-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]-1-Oxopropyl]Amino]-2-Oxoethyl]-3-(Trifluoromethyl)Benzamide; N-[(1S)-2-Keto-1-Methyl-2-[[(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl]Amino]Ethyl]-3-(Trifluoromethyl)Benzamide
• Molecular Formula: C₂₀H₁₉F₃N₄O₅
• Molecular Weight: 452.39
• CAS Registry Number: 78044-16-3
• SMILES: [C@H](C(=O)NC([C@@H](NC(C1=CC=CC(=C1)C(F)(F)F)=O)C)=O)(NC2=CC=C(C=C2)[N+](=O)[O-])C
• InChI: 1S/C20H19F3N4O5/c1-11(24-15-6-8-16(9-7-15)27(31)32)17(28)26-18(29)12(2)25-19(30)13-4-3-5-14(10-13)20(21,22)23/h3-12,24H,1-2H3,(H,25,30)(H,26,28,29)/t11-,12-/m0/s1
• InChIKey: XNZCVNIZILVHGW-RYUDHWBXSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 657.201°C at 760 mmHg (Cal.)
• Flash point: 351.263°C (Cal.)