L-γ-Glutamyl-S-(5-Bromo-2,3-Dihydroxyphenyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C16H20BrN3O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-1-[(5-bromo-2,3-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 494.314 g·mol−1
Heat of Formation -1384.6 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 501.03 Å 3
Surface Area 384.95 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-1-[(5-bromo-2,3-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-1-[[(5-bromo-2,3-dihydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-1-[[(5-bromo-2,3-dihydroxyphenyl)thio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-3-(5-bromo-2,3-dihydroxy-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 6-(glutathion-s-yl)-4-bromocatechol
  • 6-gbc
  • glycine, n-(s-(5-bromo-2,3-dihydroxyphenyl)-n-l-gamma-glutamyl-l-cysteinyl)-, (sp-4-2)-
CAS Number(s)
  • 92263-88-2
InChIKey RPPCNELAICWYHU-IUCAKERBSA-N
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Elements C H O N S Br