Nalpha-Acetyl-N-[(3S)-1-(4-Biphenylylmethyl)-2-Oxo-3-Azepanyl]-3,4-Diphosphono-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C30H35N3O9P2
IUPAC Name [4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphono-phenyl]phosphonic acid
Molecular Mass 643.561 g·mol−1
Heat of Formation -1929.0 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 728.37 Å 3
Surface Area 515.44 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • [5-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-phosphono-phenyl]phosphonic acid
  • [5-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-phosphonophenyl]phosphonic acid
  • [5-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphono-phenyl]phosphonic acid
  • [5-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphonophenyl]phosphonic acid
  • n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide
  • ru83876
InChIKey WCMLXBUNHNAMNH-UIOOFZCWSA-N
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