N-({4'-[(1-Benzofuran-2-Ylcarbonyl)Amino]-4-Biphenylyl}Sulfonyl)-L-Valine

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Properties Simple | Detailed

Formula C26H24N2O6S
IUPAC Name (2s)-2-[[4-[4-(benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methyl-butanoic acid
Molecular Mass 492.544 g·mol−1
Heat of Formation -689.2 ± 16.7 kJ·mol−1
Dipole Moment 7.05 ± 1.08 D
Volume 559.39 Å 3
Surface Area 486.95 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[4-(1-benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
  • (2s)-2-[[4-[4-(1-benzofuran-2-ylcarbonylamino)phenyl]phenyl]sulfonylamino]-3-methyl-butanoic acid
  • (2s)-2-[[4-[4-(benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methyl-butanoic acid
  • (2s)-2-[[4-[4-(benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methyl-butyric acid
  • (2s)-2-[[4-[4-[(2-benzofuranyl-oxomethyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
  • n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine
  • way033
InChIKey HJFONKSERLWIGE-DEOSSOPVSA-N
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