(3R,5R)-7-[1-(4-Fluorophenyl)-4-Isopropyl-3-{Methyl[(1R)-1-Phenylethyl]Carbamoyl}-1H-Pyrazol-5-Yl]-3,5-Dihydroxyheptanoic Acid

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Properties Simple | Detailed

Formula C29H36FN3O5
IUPAC Name (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[methyl-[(1r)-1-phenylethyl]carbamoyl]pyrazol-2-ium-1-id-3-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 525.612 g·mol−1
Heat of Formation -923.9 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 645.72 Å 3
Surface Area 534.15 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[[methyl-[(1r)-1-phenylethyl]amino]-oxomethyl]-3-pyrazolyl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[methyl-[(1r)-1-phenylethyl]carbamoyl]pyrazol-3-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[methyl-[(1r)-1-phenylethyl]carbamoyl]pyrazol-3-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-5-[methyl-[(1r)-1-phenylethyl]carbamoyl]-4-propan-2-yl-pyrazol-3-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-5-[methyl-[(1r)-1-phenylethyl]carbamoyl]-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoic acid
InChIKey MPDDTAJMJCESGV-CTUHWIOQSA-N
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