(3R,5R)-7-{3-(4-Fluorophenyl)-1-Isopropyl-4-Phenyl-5-[(4-Sulfamoylphenyl)Carbamoyl]-1H-Pyrrol-2-Yl}-3,5-Dihydroxyheptanoic Acid

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Formula C33H36FN3O7S
IUPAC Name (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]pyrrol-1-ium-2-ylium-2-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 637.718 g·mol−1
Heat of Formation -1268.0 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 739.07 Å 3
Surface Area 596.71 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]pyrrol-2-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]pyrrol-2-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-5-[oxo-[(4-sulfamoylphenyl)amino]methyl]-4-phenyl-2-pyrrolyl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-4-phenyl-1-propan-2-yl-5-[(4-sulfamoylphenyl)carbamoyl]pyrrol-2-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-4-phenyl-1-propan-2-yl-5-[(4-sulfamoylphenyl)carbamoyl]pyrrol-2-yl]-3,5-dihydroxyheptanoic acid
InChIKey ZBCQTJGKEZGMGJ-CLJLJLNGSA-N
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