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

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Properties Simple | Detailed

Formula C18H22F6N4O3
IUPAC Name (2s)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-n-[(2s)-2-[4-(trifluoromethyl)anilino]propanoyl]hexanamide
Molecular Mass 456.383 g·mol−1
Heat of Formation -1794.8 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 507.69 Å 3
Surface Area 435.37 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-amino-2-(2,2,2-trifluoroethanoylamino)-n-[(2s)-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]hexanamide
  • (2s)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]-n-[(2s)-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]hexanamide
  • (2s)-6-amino-n-[(2s)-1-oxo-2-[[4-(trifluoromethyl)phenyl]amino]propyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]hexanamide
  • l-alaninamide, n2-(trifluoroacetyl)-l-lysyl-n-(4-(trifluoromethyl)phenyl)-
  • tfa-lys-ala-tfmpa
  • tfai
  • trifluoroacetyl-lysyl-alanyl-trifluoromethylphenylanilide
  • trifluoroacetyllysylalanine-trifluoromethylphenylanilide
CAS Number(s)
  • 68739-25-3
InChIKey RWWZMFNNSUSTMW-GWCFXTLKSA-N
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