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

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Properties Simple | Detailed

Formula C18H21F6N3O3
IUPAC Name (2s)-4-methyl-n-[(1s)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
Molecular Mass 441.368 g·mol−1
Heat of Formation -1872.6 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 486.48 Å 3
Surface Area 429.19 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-methyl-n-[(1s)-1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanamide
  • (2s)-4-methyl-n-[(1s)-1-methyl-2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
  • (2s)-4-methyl-n-[(2s)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-(2,2,2-trifluoroethanoylamino)pentanamide
  • (2s)-4-methyl-n-[(2s)-1-oxo-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
  • (2s)-n-[(1s)-2-keto-1-methyl-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]valeramide
InChIKey COFHEZKAONGFAP-GWCFXTLKSA-N
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