N-Acetyl-D-Phenylalanyl-N-[(1R)-5-Amino-1-(Dihydroxyboryl)Pentyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C21H33BN4O5
IUPAC Name [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-pentyl]boronic acid
Molecular Mass 432.322 g·mol−1
Heat of Formation -1184.9 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 539.89 Å 3
Surface Area 464.31 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-amino-pentyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-pentyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-aminopentyl]boronic acid
  • [(1r)-1-[[[(2s)-1-[(2r)-2-acetamido-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-aminopentyl]boronic acid
  • ac-(d)phe-pro-borolys-oh
  • di2
InChIKey UCQIHCRMWNRFNP-QYZOEREBSA-N
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