L-α-Glutamyl-S-Pyruvoyl-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C13H19N3O8S
IUPAC Name (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(2-oxopropanoylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 377.370 g·mol−1
Heat of Formation -1421.2 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 427.99 Å 3
Surface Area 363.5 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(1,2-dioxopropylthio)methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-[(pyruvoylthio)methyl]ethyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(2-oxopropanoylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-(2-oxopropanoylsulfanyl)propan-2-yl]amino]-5-oxo-pentanoic acid
  • glycine, n-(s-(1,2-dioxopropyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • s-pyruvoylglutathione
  • s-pyruvylglutathione
CAS Number(s)
  • 54398-03-7
InChIKey DLBGKCIHDLHLDZ-YUMQZZPRSA-N
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