L-γ-Glutamyl-S-(2-Bromo-3,6-Dihydroxyphenyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C16H20BrN3O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-1-[(2-bromo-3,6-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 494.314 g·mol−1
Heat of Formation -1388.2 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 492.47 Å 3
Surface Area 407.9 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-1-[(2-bromo-3,6-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-1-[[(2-bromo-3,6-dihydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-1-[[(2-bromo-3,6-dihydroxyphenyl)thio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-3-(2-bromo-3,6-dihydroxy-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-bromo-3-(glutathion-s-yl)hydroquinone
  • hydroquinone, 2-bromo-3-(glutathion-s-yl)-
CAS Number(s)
  • 99133-21-8
InChIKey BLTARCLVXNKQHX-YUMQZZPRSA-N
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Elements C H O N S Br