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

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Properties Simple | Detailed

Formula C22H34BN5O5
IUPAC Name [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-6-amino-6-imino-hexyl]boronic acid
Molecular Mass 459.347 g·mol−1
Heat of Formation -1149.5 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 573.94 Å 3
Surface Area 488.49 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-6-amino-6-imino-hexyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-6-amino-6-imino-hexyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-6-amino-6-iminohexyl]boronic acid
  • [(1r)-1-[[[(2s)-1-[(2r)-2-acetamido-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-6-amino-6-iminohexyl]boronic acid
  • ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh
  • di3
InChIKey HRJAZDKYNLOJRB-QYZOEREBSA-N
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