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

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Properties Simple | Detailed

Formula C19H23N2O6P
IUPAC Name 3-[[(2s)-3-(4-phenylphenyl)-2-(phosphonomethylamino)propanoyl]amino]propanoic acid
Molecular Mass 406.369 g·mol−1
Heat of Formation -1237.9 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 471.17 Å 3
Surface Area 370.72 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(2s)-1-oxo-3-(4-phenylphenyl)-2-(phosphonomethylamino)propyl]amino]propanoic acid
  • 3-[[(2s)-3-(4-phenylphenyl)-2-(phosphonomethylamino)propanoyl]amino]propanoic acid
  • 3-[[(2s)-3-(4-phenylphenyl)-2-(phosphonomethylamino)propanoyl]amino]propionic acid
  • beta-alanine, n-(3-(1,1'-biphenyl)-4-yl-n-(phosphonomethyl)alanyl)-
  • cgs 24128
  • cgs-24128
  • n-(2-(phosphonomethylamino)-3-(4-biphenylyl)propionyl)-3-aminopropionic acid
CAS Number(s)
  • 147861-76-5
InChIKey MVRLTBIHUWUGAR-KRWDZBQOSA-N
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