(3R,5R)-7-[3,4-Bis(4-Fluorophenyl)-1-Isopropyl-5-(Phenylcarbamoyl)-1H-Pyrrol-2-Yl]-3,5-Dihydroxyheptanoic Acid

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Properties Simple | Detailed

Formula C33H34F2N2O5
IUPAC Name (3r,5r)-7-[3,4-bis(4-fluorophenyl)-1-isopropyl-5-(phenylcarbamoyl)pyrrol-1-ium-5-ylium-2-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 576.630 g·mol−1
Heat of Formation -1120.4 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 686.84 Å 3
Surface Area 555.55 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[3,4-bis(4-fluorophenyl)-1-isopropyl-5-(phenylcarbamoyl)pyrrol-2-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[3,4-bis(4-fluorophenyl)-1-isopropyl-5-(phenylcarbamoyl)pyrrol-2-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[3,4-bis(4-fluorophenyl)-1-isopropyl-5-[oxo-(phenylamino)methyl]-2-pyrrolyl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[3,4-bis(4-fluorophenyl)-5-(phenylcarbamoyl)-1-propan-2-yl-pyrrol-2-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[3,4-bis(4-fluorophenyl)-5-(phenylcarbamoyl)-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyheptanoic acid
InChIKey VZMMUQFHUUOVEM-KAYWLYCHSA-N
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