(2S,4R)-4-{[(2S)-1-Anilino-4-Methyl-1-Oxo-2-Pentanyl]Carbamoyl}-6-(4'-Fluoro-4-Biphenylyl)-2-[4-(1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)Butyl]Hexanoic Acid

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Properties Simple | Detailed

Formula C43H48FN3O5
IUPAC Name (2s,4r)-6-[4-(4-fluorophenyl)phenyl]-4-[[(1s)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-2-[4-(1-oxoisoindolin-2-yl)butyl]hexanoic acid
Molecular Mass 705.857 g·mol−1
Heat of Formation -963.1 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 879.37 Å 3
Surface Area 722.86 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-6-[4-(4-fluorophenyl)phenyl]-2-[4-(1-ketoisoindolin-2-yl)butyl]-4-[[(1s)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]hexanoic acid
  • (2s,4r)-6-[4-(4-fluorophenyl)phenyl]-4-[[(1s)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl]-2-[4-(1-oxoisoindolin-2-yl)butyl]hexanoic acid
  • (2s,4r)-6-[4-(4-fluorophenyl)phenyl]-4-[[(2s)-4-methyl-1-oxo-1-(phenylamino)pentan-2-yl]carbamoyl]-2-[4-(3-oxo-1h-isoindol-2-yl)butyl]hexanoic acid
  • (2s,4r)-6-[4-(4-fluorophenyl)phenyl]-4-[[[(1s)-3-methyl-1-[oxo-(phenylamino)methyl]butyl]amino]-oxomethyl]-2-[4-(1-oxo-2-isoindolinyl)butyl]hexanoic acid
  • 6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid
  • l004
  • l04
InChIKey WSHMSPGZDPZGRV-GZYXPWJKSA-N
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