N-[(Benzyloxy)Carbonyl]-β-Phenyl-D-Phenylalanyl-N-[(1S)-4-Methoxy-1-Phosphonobutyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C33H40N3O8P
IUPAC Name [(1s)-1-[[(2s)-1-[(2r)-2-(benzyloxycarbonylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methoxy-butyl]phosphonic acid
Molecular Mass 637.660 g·mol−1
Heat of Formation -1450.5 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 759.71 Å 3
Surface Area 599.33 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1-[[(2s)-1-[(2r)-2-(benzyloxycarbonylamino)-3,3-di(phenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methoxy-butyl]phosphonic acid
  • [(1s)-1-[[(2s)-1-[(2r)-3,3-di(phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methoxy-butyl]phosphonic acid
  • [(1s)-1-[[(2s)-1-[(2r)-3,3-di(phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methoxy-butyl]phosphonic acid
  • [(1s)-1-[[(2s)-1-[(2r)-3,3-di(phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methoxybutyl]phosphonic acid
  • [(1s)-4-methoxy-1-[[oxo-[(2s)-1-[(2r)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]-3,3-di(phenyl)propyl]-2-pyrrolidinyl]methyl]amino]butyl]phosphonic acid
InChIKey RQOYKJRZXWFGEE-TWLDFKIOSA-N
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