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

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Properties Simple | Detailed

Formula C16H17Cl2N3O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2,5-dichloro-3,6-dioxo-cyclohexa-1,4-dien-1-yl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 482.292 g·mol−1
Heat of Formation -1275.4 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 506.14 Å 3
Surface Area 421.69 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2,5-dichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2,5-dichloro-3,6-diketo-1-cyclohexa-1,4-dienyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2,5-dichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2,5-dichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)sulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2,5-dgbq
  • 2,5-dichloro-3-(glutathionyl-s-yl)-1,4-benzoquinone
  • glycine, n-(s-(2,5-dichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-n-l-gamma-glutamyl-l-cysteinyl)-
CAS Number(s)
  • 135608-87-6
InChIKey SIMWAUGDLUXWDC-YUMQZZPRSA-N
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