N-[(Benzyloxy)Carbonyl]-L-Alanyl-N-{(1R)-1-[(S)-Hydroxy{[(2S)-1-Methoxy-1-Oxo-3-Phenyl-2-Propanyl]Oxy}Phosphoryl]-3-Methylbutyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C29H40N3O9P
IUPAC Name [(1s)-1-benzyl-2-methoxy-2-oxo-ethoxy]-[(1r)-1-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-methyl-butyl]phosphinic acid
Molecular Mass 605.616 g·mol−1
Heat of Formation -1836.3 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 732.04 Å 3
Surface Area 581.54 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1-(benzyl)-2-keto-2-methoxy-ethoxy]-[(1r)-1-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-methyl-butyl]phosphinic acid
  • [(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]-[(1r)-3-methyl-1-[[(2s)-1-oxo-2-[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]propyl]amino]butyl]phosphinic acid
  • [(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]-[(1r)-3-methyl-1-[[(2s)-2-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butyl]phosphinic acid
  • [(2s)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]oxy-[(1r)-3-methyl-1-[[(2s)-2-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butyl]phosphinic acid
  • [(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1r)-3-methyl-1-[[(2s)-2-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butyl]phosphinic acid
  • cbz-ala-ala-ple-oph
InChIKey VWCUANLUSQBJLX-WIHVIGOGSA-N
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