Nalpha-Acetyl-N-[(3S)-1-(4-Biphenylylmethyl)-2-Oxo-3-Azepanyl]-3-Formyl-O-Phosphono-L-Tyrosinamide

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Properties Simple | Detailed

Formula C31H34N3O8P
IUPAC Name [4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formyl-phenyl] dihydrogen phosphate
Molecular Mass 607.591 g·mol−1
Heat of Formation -1559.7 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 690.53 Å 3
Surface Area 500.18 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-formyl-phenyl] dihydrogen phosphate
  • [4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-formylphenyl] dihydrogen phosphate
  • [4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formyl-phenyl] dihydrogen phosphate
  • [4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formylphenyl] dihydrogen phosphate
  • [4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-methanoyl-phenyl] dihydrogen phosphate
  • n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide
  • ru84687
InChIKey SAFPHFWYRLLBFO-NSOVKSMOSA-N
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