N-Acetyl-D-Phenylalanyl-N-[(1R)-6-Amino-1-(Dihydroxyboryl)Hexyl]-L-Prolinamide

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Formula C22H35BN4O5
IUPAC Name [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-6-amino-hexyl]boronic acid
Molecular Mass 446.348 g·mol−1
Heat of Formation -1211.5 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 563.11 Å 3
Surface Area 481.28 Å 2
HOMO Energy -9.29 ± 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]-6-amino-hexyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-6-amino-hexyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-6-aminohexyl]boronic acid
  • [(1r)-1-[[[(2s)-1-[(2r)-2-acetamido-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-6-aminohexyl]boronic acid
  • di4
InChIKey AILSWIBFGYYZTK-AABGKKOBSA-N
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