(3R,5R)-7-[3-(4-Fluorophenyl)-1-Isopropyl-8-Oxo-7-Phenyl-1,4,5,6,7,8-Hexahydropyrrolo[2,3-C]Azepin-2-Yl]-3,5-Dihydroxyheptanoic Acid

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Properties Simple | Detailed

Formula C30H35FN2O5
IUPAC Name (3r,5r)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-propan-2-yl-5,6-dihydro-4h-pyrrolo[5,4-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid
Molecular Mass 522.608 g·mol−1
Heat of Formation -1025.6 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 624.35 Å 3
Surface Area 513.32 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-keto-7-phenyl-5,6-dihydro-4h-pyrrolo[5,4-c]azepin-2-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-5,6-dihydro-4h-pyrrolo[5,4-c]azepin-2-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-5,6-dihydro-4h-pyrrolo[5,4-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-propan-2-yl-5,6-dihydro-4h-pyrrolo[5,4-c]azepin-2-yl]-3,5-dihydroxy-heptanoic acid
  • hr2
InChIKey OMBVEVHRIQULKW-DNQXCXABSA-N
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