[(1R)-1-{[(1-{N-[(S)-Hydroxy(4-Morpholinyl)Methyl]-β-Phenyl-D-Phenylalanyl}-1H-Pyrrol-2-Yl)Carbonyl]Amino}-4-Methoxybutyl]Boronic Acid

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Properties Simple | Detailed

Formula C30H39BN4O7
IUPAC Name [(1r)-1-[[1-[(2r)-2-[[(s)-hydroxy(morpholino)methyl]amino]-3,3-diphenyl-propanoyl]pyrrole-2-carbonyl]amino]-4-methoxy-butyl]boronic acid
Molecular Mass 578.464 g·mol−1
Heat of Formation -1205.3 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 704.04 Å 3
Surface Area 516.2 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[1-[(2r)-2-[[(s)-hydroxy-morpholin-4-yl-methyl]amino]-3,3-di(phenyl)propanoyl]pyrrol-2-yl]carbonylamino]-4-methoxy-butyl]boronic acid
  • [(1r)-1-[[1-[(2r)-2-[[(s)-hydroxy-morpholin-4-ylmethyl]amino]-3,3-di(phenyl)propanoyl]pyrrole-2-carbonyl]amino]-4-methoxybutyl]boronic acid
  • [(1r)-1-[[1-[(2r)-2-[[(s)-hydroxy-morpholino-methyl]amino]-3,3-di(phenyl)propanoyl]pyrrole-2-carbonyl]amino]-4-methoxy-butyl]boronic acid
  • [(1r)-1-[[[1-[(2r)-2-[[(s)-hydroxy-morpholinomethyl]amino]-1-oxo-3,3-di(phenyl)propyl]-2-pyrrolyl]-oxomethyl]amino]-4-methoxybutyl]boronic acid
  • morpholino-diphenylalanine-methoxypropylboronic acid
  • t42
InChIKey DTJORIMAIDQZOF-NSROOHRNSA-N
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