(2S)-4-Methyl-2-[(2,2,2-Trifluoroacetyl)Amino]-N-[(2S)-2-[[4-(Trifluoromethyl)Phenyl]Amino]Propanoyl]Pentanamide
[CAS# 119777-90-1]

Identification

• Name: (2S)-4-Methyl-2-[(2,2,2-Trifluoroacetyl)Amino]-N-[(2S)-2-[[4-(Trifluoromethyl)Phenyl]Amino]Propanoyl]Pentanamide
• Synonyms: (2S)-4-Methyl-N-[(2S)-1-Oxo-2-[[4-(Trifluoromethyl)Phenyl]Amino]Propyl]-2-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Pentanamide; (2S)-4-Methyl-2-[(2,2,2-Trifluoroacetyl)Amino]-N-[(2S)-2-[[4-(Trifluoromethyl)Phenyl]Amino]Propanoyl]Valeramide; (2S)-4-Methyl-2-(2,2,2-Trifluoroethanoylamino)-N-[(2S)-2-[[4-(Trifluoromethyl)Phenyl]Amino]Propanoyl]Pentanamide
• Molecular Formula: C₁₈H₂₁F₆N₃O₃
• Molecular Weight: 441.37
• CAS Registry Number: 119777-90-1
• SMILES: [C@H](C(=O)NC([C@@H](NC(=O)C(F)(F)F)CC(C)C)=O)(NC1=CC=C(C=C1)C(F)(F)F)C
• InChI: 1S/C18H21F6N3O3/c1-9(2)8-13(26-16(30)18(22,23)24)15(29)27-14(28)10(3)25-12-6-4-11(5-7-12)17(19,20)21/h4-7,9-10,13,25H,8H2,1-3H3,(H,26,30)(H,27,28,29)/t10-,13-/m0/s1
• InChIKey: AXGRINIFANQBKQ-GWCFXTLKSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 529.616°C at 760 mmHg (Cal.)
• Flash point: 274.102°C (Cal.)