N-Acetyl-D-Phenylalanyl-N-[(1R)-4-Amino-1-(Dihydroxyboryl)Butyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C20H31BN4O5
IUPAC Name [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-butyl]boronic acid
Molecular Mass 418.295 g·mol−1
Heat of Formation -1169.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 519.12 Å 3
Surface Area 440.9 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-amino-butyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-butyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-aminobutyl]boronic acid
  • [(1r)-1-[[[(2s)-1-[(2r)-2-acetamido-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-aminobutyl]boronic acid
  • ac-(d)phe-pro-borohomoornithine-oh
  • di5
InChIKey YKWKWNKWBGQECF-SQNIBIBYSA-N
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