L-γ-Glutamyl-S-[2-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)Ethyl]-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C16H22N4O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 430.433 g·mol−1
Heat of Formation -1338.6 ± 16.7 kJ·mol−1
Dipole Moment 1.22 ± 1.08 D
Volume 499.88 Å 3
Surface Area 394.96 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[2-(2,5-dioxo-1-pyrrolyl)ethylthio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-[(2-maleimidoethylthio)methyl]ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • n-ethylmaleimide-s-glutathione
CAS Number(s)
  • 97908-43-5
InChIKey VQDKPBCISILESC-UWVGGRQHSA-N
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