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

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Properties Simple | Detailed

Formula C28H29F4N3O9P2
IUPAC Name [[4-[(2s)-3-amino-2-[[(2s)-2-[[2-[4-[dihydroxyphosphoryl(difluoro)methyl]phenyl]acetyl]amino]-3-phenyl-propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 689.486 g·mol−1
Heat of Formation -2904.6 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 738.95 Å 3
Surface Area 536.94 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[(2s)-3-amino-2-[[(2s)-2-[2-[4-(difluoro-phosphono-methyl)phenyl]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2s)-3-amino-2-[[(2s)-2-[[2-[4-(difluoro-phosphono-methyl)phenyl]acetyl]amino]-3-phenyl-propanoyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2s)-3-amino-2-[[(2s)-2-[[2-[4-(difluoro-phosphono-methyl)phenyl]acetyl]amino]-3-phenyl-propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
  • [[4-[(2s)-3-amino-2-[[(2s)-2-[[2-[4-(difluoro-phosphonomethyl)phenyl]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
  • [[4-[(2s)-3-amino-2-[[(2s)-2-[[2-[4-(difluoro-phosphonomethyl)phenyl]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
  • dfj
InChIKey LGZYIQKUXWAUAL-GOTSBHOMSA-N
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