N-Benzoyl-L-α-Glutamyl-4-[Difluoro(Phosphono)Methyl]-L-Phenylalanyl-4-[Difluoro(Phosphono)Methyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C32H34F4N4O12P2
IUPAC Name (4s)-5-[[(1s)-2-[[(1s)-2-amino-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-4-benzamido-5-oxo-pentanoic acid
Molecular Mass 804.573 g·mol−1
Heat of Formation -3486.6 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 847.61 Å 3
Surface Area 609.53 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-5-[[(1s)-2-[[(1s)-2-amino-1-[4-(difluoro-phosphono-methyl)benzyl]-2-keto-ethyl]amino]-1-[4-(difluoro-phosphono-methyl)benzyl]-2-keto-ethyl]amino]-4-(benzoylamino)-5-keto-valeric acid
  • (4s)-5-[[(1s)-2-[[(1s)-2-amino-1-[[4-(difluoro-phosphono-methyl)phenyl]methyl]-2-oxo-ethyl]amino]-1-[[4-(difluoro-phosphono-methyl)phenyl]methyl]-2-oxo-ethyl]amino]-4-(benzoylamino)-5-oxo-pentanoic acid
  • (4s)-5-[[(1s)-2-[[(1s)-2-amino-1-[[4-(difluoro-phosphonomethyl)phenyl]methyl]-2-oxoethyl]amino]-1-[[4-(difluoro-phosphonomethyl)phenyl]methyl]-2-oxoethyl]amino]-5-oxo-4-[(oxo-phenylmethyl)amino]pentanoic acid
  • (4s)-5-[[(2s)-1-[[(2s)-1-amino-3-[4-(difluoro-phosphono-methyl)phenyl]-1-oxo-propan-2-yl]amino]-3-[4-(difluoro-phosphono-methyl)phenyl]-1-oxo-propan-2-yl]amino]-5-oxo-4-(phenylcarbonylamino)pentanoic acid
  • (4s)-5-[[(2s)-1-[[(2s)-1-amino-3-[4-(difluoro-phosphonomethyl)phenyl]-1-oxopropan-2-yl]amino]-3-[4-(difluoro-phosphonomethyl)phenyl]-1-oxopropan-2-yl]amino]-4-(benzoylamino)-5-oxopentanoic acid
  • 4-benzoylamino-4-{1-{1-carbamoyl-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethylcarbamoyl}-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethylcarbamoyl}-butyric acid
  • bgd
  • n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide
InChIKey UJIWNECQGQOIKP-SDHOMARFSA-N
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