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

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Properties Simple | Detailed

Formula C21H19F6N3O3
IUPAC Name (2s)-n-[(1s)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
Molecular Mass 475.384 g·mol−1
Heat of Formation -1673.5 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 511.22 Å 3
Surface Area 445.81 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-3-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanamide
  • (2s)-n-[(1s)-1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
  • (2s)-n-[(1s)-2-keto-1-methyl-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propionamide
  • (2s)-n-[(2s)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-3-phenyl-2-(2,2,2-trifluoroethanoylamino)propanamide
  • (2s)-n-[(2s)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
InChIKey YVHDCJDFGBMJNF-LRDDRELGSA-N
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