(2S)-2-[4-Butoxy-3-({[2-Fluoro-4-(Trifluoromethyl)Benzoyl]Amino}Methyl)Benzyl]Butanoic Acid

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Properties Simple | Detailed

Formula C24H27F4NO4
IUPAC Name (2s)-2-[[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]butanoic acid
Molecular Mass 469.469 g·mol−1
Heat of Formation -1564.1 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 555.6 Å 3
Surface Area 461.7 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]benzyl]butyric acid
  • (2s)-2-[[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]butanoic acid
  • (2s)-2-[[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
  • (2s)-2-[[4-butoxy-3-[[[[2-fluoro-4-(trifluoromethyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]butanoic acid
InChIKey AJSFKATVCYWKJN-INIZCTEOSA-N
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