N-Acetyl-L-Phenylalanyl-4-[Difluoro(Phosphono)Methyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C21H24F2N3O6P
IUPAC Name [[4-[(2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-3-amino-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 483.402 g·mol−1
Heat of Formation -1766.8 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 542.03 Å 3
Surface Area 400.65 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[(2s)-2-[[(2s)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-amino-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
  • [[4-[(2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-3-amino-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-3-amino-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2s)-2-[[(2s)-2-acetamido-3-phenylpropanoyl]amino]-3-amino-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
  • dfm
  • difluoromethylphosphonic acid analog
InChIKey KPMMESISHWWXNM-ROUUACIJSA-N
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Elements C F H O N P