N~2~-[(Benzyloxy)Carbonyl]-N-[(1R,2S)-1-(Dihydroxyboryl)-2-Methylbutyl]-L-Alaninamide

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Formula C16H25BN2O5
IUPAC Name [(1r,2s)-1-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-methyl-butyl]boronic acid
Molecular Mass 336.191 g·mol−1
Heat of Formation -1176.6 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 418.09 Å 3
Surface Area 377.79 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2s)-1-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-methyl-butyl]boronic acid
  • [(1r,2s)-2-methyl-1-[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]butyl]boronic acid
  • [(1r,2s)-2-methyl-1-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]boronic acid
InChIKey WMMGWXIYADLQHX-OBJOEFQTSA-N
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