N~2~-(Trifluoroacetyl)-N-[(2S)-2-{[4-(Trifluoromethyl)Phenyl]Amino}Propanoyl]-L-Leucinamide

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Properties Simple | Detailed

Formula C18H21F6N3O3
IUPAC Name (2s)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-n-[(2s)-2-[4-(trifluoromethyl)anilino]propanoyl]pentanamide
Molecular Mass 441.368 g·mol−1
Heat of Formation -1829.0 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 488.72 Å 3
Surface Area 418.17 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-methyl-2-(2,2,2-trifluoroethanoylamino)-n-[(2s)-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]pentanamide
  • (2s)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-n-[(2s)-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]pentanamide
  • (2s)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-n-[(2s)-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]valeramide
  • (2s)-4-methyl-n-[(2s)-1-oxo-2-[[4-(trifluoromethyl)phenyl]amino]propyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanamide
  • tfla
CAS Number(s)
  • 119777-90-1
InChIKey AXGRINIFANQBKQ-GWCFXTLKSA-N
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