N-[(4'-Bromo-4-Biphenylyl)Sulfonyl]-L-Valine

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Properties Simple | Detailed

Formula C17H18BrNO4S
IUPAC Name (2s)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butanoic acid
Molecular Mass 412.298 g·mol−1
Heat of Formation -566.0 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 420.99 Å 3
Surface Area 364.06 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butanoic acid
  • (2s)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butyric acid
  • (2s)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
  • (s)-2-(4′-bromo-biphenyl-4-sulfonylamino-3-methylbutyric acid)
  • mmp-2/mmp-3 inhibitor iii, pd166793
InChIKey GJOCABIDMCKCEG-INIZCTEOSA-N
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Elements C H O N S Br