2,5-Bis{[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl}-3-Hydroxy-L-Tyrosine

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Properties Simple | Detailed

Formula C15H21N3O8S2
IUPAC Name (2s)-2-amino-3-[2,5-bis[[(2r)-2-amino-2-carboxy-ethyl]sulfanyl]-3,4-dihydroxy-phenyl]propanoic acid
Molecular Mass 435.473 g·mol−1
Heat of Formation -1401.5 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 476.53 Å 3
Surface Area 380.75 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[2,5-bis[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]-3,4-dihydroxy-phenyl]propionic acid
  • (2s)-2-amino-3-[2,5-bis[[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl]-3,4-dihydroxy-phenyl]propanoic acid
  • (2s)-2-amino-3-[2,5-bis[[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl]-3,4-dihydroxyphenyl]propanoic acid
  • (2s)-2-amino-3-[2,5-bis[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]-3,4-dihydroxyphenyl]propanoic acid
  • 2,5-s,s-dicysteinyldopa
  • l-tyrosine, 2,5-bis((2-amino-2-carboxyethyl)thio)-3-hydroxy-, (r-(r*,r*))-
CAS Number(s)
  • 57954-84-4
InChIKey PYGLBYQINHTALU-FXQIFTODSA-N
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