2-{[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl}-5-Hydroxy-L-Tyrosine

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Properties Simple | Detailed

Formula C12H16N2O6S
IUPAC Name (2s)-2-amino-3-[2-[(2r)-2-amino-2-carboxy-ethyl]sulfanyl-4,5-dihydroxy-phenyl]propanoic acid
Molecular Mass 316.330 g·mol−1
Heat of Formation -1039.0 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 352.36 Å 3
Surface Area 296.92 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[2-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-4,5-dihydroxy-phenyl]propanoic acid
  • (2s)-2-amino-3-[2-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid
  • (2s)-2-amino-3-[2-[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]-4,5-dihydroxy-phenyl]propionic acid
  • (2s)-2-amino-3-[2-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]-4,5-dihydroxyphenyl]propanoic acid
  • 6-s-cysteinyldopa
  • l-tyrosine, 2-((2-amino-2-carboxyethyl)thio)-5-hydroxy-, (r)-
CAS Number(s)
  • 64003-39-0
InChIKey GPKIWIHPQUXQCW-BQBZGAKWSA-N
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