L-γ-Glutamyl-S-(2-Hydroxyethyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C12H21N3O7S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-(2-hydroxyethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 351.376 g·mol−1
Heat of Formation -1308.8 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 405.38 Å 3
Surface Area 360.0 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-(2-hydroxyethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-hydroxyethylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-hydroxyethylthio)methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-(2-hydroxyethylsulfanyl)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • s-(2-hydroxyethyl)glutathione
InChIKey UUZCUSQQEJSIHR-YUMQZZPRSA-N
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