L-γ-Glutamyl-S-Benzyl-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H23N3O6S
IUPAC Name (2s)-2-amino-5-[[(1r)-1-(benzylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 397.446 g·mol−1
Heat of Formation -1111.2 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 463.7 Å 3
Surface Area 391.92 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-1-[(benzylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(phenylmethylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[(phenylmethylthio)methyl]ethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
  • gsb
  • s-benzyl-glutathione
InChIKey XYJWEQWNNKNSFU-STQMWFEESA-N
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