Nalpha-Acetyl-N-[(3S)-1-(4-Biphenylylmethyl)-2-Oxo-3-Azepanyl]-4-[Difluoro(Phosphono)Methyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C31H34F2N3O6P
IUPAC Name [[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 613.589 g·mol−1
Heat of Formation -1622.9 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 698.37 Å 3
Surface Area 480.27 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]phenyl]-difluoromethyl]phosphonic acid
  • [[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]phenyl]-difluoro-methyl]phosphonic acid
  • n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide
  • ru82209
InChIKey LVZDQVATAQEMCX-NSOVKSMOSA-N
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Elements C F H O N P