L-γ-Glutamyl-S-(4-Bromobenzyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H22BrN3O6S
IUPAC Name (2s)-2-amino-5-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 476.342 g·mol−1
Heat of Formation -1044.3 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 507.24 Å 3
Surface Area 382.73 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-1-[[(4-bromobenzyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-1-[[(4-bromophenyl)methylthio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • ilg-pbb-gly
  • n-(s-((4-bromophenyl)methyl)-n-l-gamma-glutamyl-l-cysteinyl)glycine
  • s-(4-bromobenzyl)glutathione
  • s-(p-bromobenzyl)glutathione
InChIKey HMNYAPVDRLKBJH-STQMWFEESA-N
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Elements C H O N S Br