S-{5-[(2S)-2-Amino-2-Carboxyethyl]-2,3-Dihydroxyphenyl}-L-Cysteinyl-N-L-γ-Glutamylglycine

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Properties Simple | Detailed

Formula C19H26N4O10S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-[5-[(2s)-2-amino-2-carboxy-ethyl]-2,3-dihydroxy-phenyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
Molecular Mass 502.496 g·mol−1
Heat of Formation -1792.7 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 557.8 Å 3
Surface Area 416.59 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[5-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-2,3-dihydroxy-phenyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-2,3-dihydroxyphenyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[5-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-2,3-dihydroxy-phenyl]thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-2-amino-3-[[5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-2,3-dihydroxyphenyl]thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
  • 5-s-glutathionedopa
  • glutathionedopa
  • glutathionyldopa
  • glycine, n-(s-(5-(2-amino-2-carboxyethyl)-2,3-dihydroxyphenyl)-n-l-gamma-glutamyl-l-cysteinyl)-, (s)-
CAS Number(s)
  • 55136-58-8
InChIKey OLMDBOVNULDFIT-DCAQKATOSA-N
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