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

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Properties Simple | Detailed

Formula C21H33BN6O5
IUPAC Name [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-guanidino-butyl]boronic acid
Molecular Mass 460.335 g·mol−1
Heat of Formation -1100.5 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 567.67 Å 3
Surface Area 484.38 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-(diaminomethylideneamino)butyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-guanidino-butyl]boronic acid
  • [(1r)-1-[[(2s)-1-[(2r)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid
  • [(1r)-1-[[[(2s)-1-[(2r)-2-acetamido-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-guanidinobutyl]boronic acid
  • ac-(d)phe-pro-boroarg-oh
  • ac-phe-pro-boroarg-oh
  • acetylphenylalanyl-prolyl-boroarginine
  • dp7
  • dup 714
  • dup-714
  • l-prolinamide, n-acetyl-d-phenylalanyl-n-(4-((aminoiminomethyl)amino)-1-boronobutyl)-, (s)-
CAS Number(s)
  • 130982-43-3
InChIKey FXFYPTZERULUBS-SQNIBIBYSA-N
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