L-γ-Glutamyl-S-(2,5-Dihydroxyphenyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C16H21N3O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2,5-dihydroxyphenyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 415.418 g·mol−1
Heat of Formation -1398.0 ± 16.7 kJ·mol−1
Dipole Moment 0.29 ± 1.08 D
Volume 474.33 Å 3
Surface Area 374.28 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2,5-dihydroxyphenyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2,5-dihydroxyphenyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2,5-dihydroxyphenyl)thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-(2,5-dihydroxyphenyl)sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-(s-glutathionyl)hydroquinone
  • 2-s-glutathionyl-1,4-benzosemiquinone
  • glut-bsq conjugate
  • glutathionyl hydroquinone
  • glycine, l-gamma-glutamyl-s-(2,5-dihydroxyphenyl)-l-cysteinyl-
  • glycine, n-(s-(2,5-dihydroxyphenyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • hq-sg
CAS Number(s)
  • 76726-99-3
InChIKey PBSYQNUIZQXWAE-UWVGGRQHSA-N
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