3-{[(2S)-3-(4-Biphenylyl)-2-{[(Diphenoxyphosphoryl)Methyl]Amino}Propanoyl]Amino}Propanoic Acid

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Formula C31H31N2O6P
IUPAC Name 3-[[(2s)-2-(diphenoxyphosphorylmethylamino)-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
Molecular Mass 558.561 g·mol−1
Heat of Formation -995.9 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 665.59 Å 3
Surface Area 478.75 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(n-(2-(((diphenylphosphono)methyl)amino)-3-(4-biphenylyl)propionyl)amino)propionic acid
  • 3-[[(2s)-2-[bis(phenoxy)phosphorylmethylamino]-1-oxo-3-(4-phenylphenyl)propyl]amino]propanoic acid
  • 3-[[(2s)-2-[bis(phenoxy)phosphorylmethylamino]-3-(4-phenylphenyl)propanoyl]amino]propionic acid
  • beta-alanine, n-(3-(1,1'-biphenyl)-4-yl-n-((diphenoxyphosphinyl)methyl)-l-alanyl)-
  • cgs 25462
  • cgs-25462
CAS Number(s)
  • 147862-03-1
InChIKey JTQWXNZXTRVPHN-LJAQVGFWSA-N
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