L-γ-Glutamyl-S-(2,4,5-Trichloro-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C16H16Cl3N3O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[(2,4,5-trichloro-3,6-dioxo-cyclohexa-1,4-dien-1-yl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 516.738 g·mol−1
Heat of Formation -1296.1 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 527.45 Å 3
Surface Area 436.86 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-[[(2,4,5-trichloro-3,6-diketo-1-cyclohexa-1,4-dienyl)thio]methyl]ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[(2,4,5-trichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[[(2,4,5-trichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)thio]methyl]ethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-[(2,4,5-trichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)sulfanyl]propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2,5,6-trichloro-3-(glutathion-s-yl)-1,4-benzoquinone
  • 2-(s-glutathionyl)-3,5,6-trichloro-1,4-benzoquinone
  • 2-gluthionyl-3,5,6-trichloro-1,4-benzoquinone
  • glycine, n-(n-l-gamma-glutamyl-s-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-l-cysteinyl)-
  • gs-1,4-tcbq
CAS Number(s)
  • 117383-28-5
InChIKey WGAYQHYSLBCCLN-WDSKDSINSA-N
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