L-α-Aspartyl-L-Tyrosine

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Properties Simple | Detailed

Formula C13H16N2O6
IUPAC Name (3s)-3-amino-4-[[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 296.276 g·mol−1
Heat of Formation -1083.7 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 348.35 Å 3
Surface Area 291.64 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-4-[[(1s)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid
  • (3s)-3-amino-4-[[(1s)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(1s)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]-4-oxobutanoic acid
  • (3s)-3-amino-4-[[(2s)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(2s)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
  • asp-tyr
  • aspartyltyrosine
  • l-tyrosine, n-l-alpha-aspartyl-
CAS Number(s)
  • 22840-03-5
InChIKey NALWOULWGHTVDA-UWVGGRQHSA-N
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