N-(Trifluoroacetyl)-L-Valyl-N-[4-(Trifluoromethyl)Phenyl]-L-Alaninamide

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Properties Simple | Detailed

Formula C17H19F6N3O3
IUPAC Name (2s)-3-methyl-n-[(1s)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-[(2,2,2-trifluoroacetyl)amino]butanamide
Molecular Mass 427.341 g·mol−1
Heat of Formation -1847.0 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 462.65 Å 3
Surface Area 408.5 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-methyl-n-[(1s)-1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanamide
  • (2s)-3-methyl-n-[(1s)-1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-2-[(2,2,2-trifluoroacetyl)amino]butanamide
  • (2s)-3-methyl-n-[(2s)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-(2,2,2-trifluoroethanoylamino)butanamide
  • (2s)-3-methyl-n-[(2s)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]butanamide
  • (2s)-n-[(1s)-2-keto-1-methyl-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butyramide
InChIKey XAJBYSREBDCYAJ-CABZTGNLSA-N
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