L-α-Glutamyl-S-Glycoloyl-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C12H19N3O8S
IUPAC Name (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-hydroxyacetyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 365.360 g·mol−1
Heat of Formation -1437.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 410.2 Å 3
Surface Area 351.52 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-hydroxyacetyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(glycoloylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2-hydroxy-1-oxoethyl)thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-(2-hydroxyethanoylsulfanyl)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • glycine, n-(n-l-gamma-glutamyl-s-(hydroxyacetyl)-l-cysteinyl)-
  • s-glycolylglutathione
CAS Number(s)
  • 50409-85-3
InChIKey PALDSRDFVCTDNW-BQBZGAKWSA-N
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