N-[(2S)-1-({(2S)-2-[(4-Nitrophenyl)Amino]Propanoyl}Amino)-1-Oxo-2-Propanyl]-3-(Trifluoromethyl)Benzamide

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Properties Simple | Detailed

Formula C20H19F3N4O5
IUPAC Name n-[(1s)-1-methyl-2-[[(2s)-2-(4-nitroanilino)propanoyl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide
Molecular Mass 452.384 g·mol−1
Heat of Formation -1051.1 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 496.36 Å 3
Surface Area 447.72 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3-trifluoromethylbenzoyl-dialanine-4-nitroanilide
  • l-alaninamide, n-(3-(trifluoromethyl)benzoyl)-l-alanyl-n-(4-nitrophenyl)-
  • m-trifluoromethylbenzoyl-dialanine-p-nitroanilide
  • n-[(1s)-1-methyl-2-[[(2s)-2-[(4-nitrophenyl)amino]-1-oxopropyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
  • n-[(1s)-1-methyl-2-[[(2s)-2-[(4-nitrophenyl)amino]propanoyl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide
  • n-[(1s)-2-keto-1-methyl-2-[[(2s)-2-[(4-nitrophenyl)amino]propanoyl]amino]ethyl]-3-(trifluoromethyl)benzamide
  • n-[(2s)-1-[[(2s)-2-[(4-nitrophenyl)amino]propanoyl]amino]-1-oxo-propan-2-yl]-3-(trifluoromethyl)benzamide
  • n-[(2s)-1-[[(2s)-2-[(4-nitrophenyl)amino]propanoyl]amino]-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
  • tfmbdana
CAS Number(s)
  • 78044-16-3
InChIKey XNZCVNIZILVHGW-RYUDHWBXSA-N
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