[(1R)-1-{[(1-{N-[(Benzyloxy)Carbonyl]-β-Phenyl-D-Phenylalanyl}-1H-Pyrrol-2-Yl)Carbonyl]Amino}-2-Methylpropyl]Boronic Acid

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Properties Simple | Detailed

Formula C32H34BN3O6
IUPAC Name [(1r)-1-[[1-[(2r)-2-(benzyloxycarbonylamino)-3,3-diphenyl-propanoyl]-3h-pyrrol-1-ium-3-ide-2-carbonyl]amino]-2-methyl-propyl]boronic acid
Molecular Mass 567.440 g·mol−1
Heat of Formation -974.7 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 689.91 Å 3
Surface Area 499.97 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[1-[(2r)-2-(benzyloxycarbonylamino)-3,3-di(phenyl)propanoyl]pyrrole-2-carbonyl]amino]-2-methyl-propyl]boronic acid
  • [(1r)-1-[[1-[(2r)-3,3-di(phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrol-2-yl]carbonylamino]-2-methyl-propyl]boronic acid
  • [(1r)-1-[[1-[(2r)-3,3-di(phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrole-2-carbonyl]amino]-2-methyl-propyl]boronic acid
  • [(1r)-1-[[1-[(2r)-3,3-di(phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrole-2-carbonyl]amino]-2-methylpropyl]boronic acid
  • [(1r)-2-methyl-1-[[oxo-[1-[(2r)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]-3,3-di(phenyl)propyl]-2-pyrrolyl]methyl]amino]propyl]boronic acid
  • phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval
  • t19
InChIKey HDJOUHBCHJHXKC-WDYNHAJCSA-N
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