Aspartylphenylalanine

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Properties Simple | Detailed

Formula C13H16N2O5
IUPAC Name (3s)-3-amino-4-[[(1s)-1-carboxy-2-phenyl-ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 280.277 g·mol−1
Heat of Formation -893.5 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 335.12 Å 3
Surface Area 282.18 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-4-[[(1s)-1-(benzyl)-2-hydroxy-2-keto-ethyl]amino]-4-keto-butyric acid
  • (3s)-3-amino-4-[[(1s)-2-hydroxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(1s)-2-hydroxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutanoic acid
  • (3s)-3-amino-4-[[(2s)-1-hydroxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(2s)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
  • aspartame acid
  • aspartyl-phenylalanine
  • l-aspartyl-l-phenylalanine
  • l-phenylalanine, n-l-alpha-aspartyl-, homopolymer
  • n-l-alpha-aspartyl-3-phenyl-l-alanine
  • n-l-beta-aspartyl-3-phenyl-l-alanine
  • poly(asp-phe)
  • poly(l-aspartyl-l-phenylalanine)
CAS Number(s)
  • 76022-68-9
  • 13433-10-8
InChIKey YZQCXOFQZKCETR-UWVGGRQHSA-N
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