(3R,5R)-7-[4-(Benzylcarbamoyl)-2-(4-Fluorophenyl)-5-Isopropyl-1H-Imidazol-1-Yl]-3,5-Dihydroxyheptanoic Acid

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Properties Simple | Detailed

Formula C27H32FN3O5
IUPAC Name (3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-isopropyl-imidazol-1-ium-2-ylium-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 497.558 g·mol−1
Heat of Formation -977.3 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 597.52 Å 3
Surface Area 513.49 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-(phenylmethylcarbamoyl)-5-propan-2-yl-imidazol-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-(phenylmethylcarbamoyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-5-isopropyl-4-(phenylmethylcarbamoyl)imidazol-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-5-isopropyl-4-[oxo-(phenylmethylamino)methyl]-1-imidazolyl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-isopropyl-imidazol-1-yl]-3,5-dihydroxy-enanthic acid
InChIKey ATGOOVTXNDYCBK-FGZHOGPDSA-N
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