L-γ-Glutamyl-S-(Chloroacetyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C12H18ClN3O7S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-chloroacetyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 383.805 g·mol−1
Heat of Formation -1307.8 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 419.1 Å 3
Surface Area 375.87 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(2-chloroacetyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2-chloro-1-oxoethyl)thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2-chloroacetyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-(2-chloroethanoylsulfanyl)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 2-chloroacetylglutathione
  • clch2cosg
  • glycine, n-(s-(chloroacetyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • s-(2-chloroacetyl)glutathione
CAS Number(s)
  • 113668-38-5
InChIKey QJDRMMRBPVHMAD-BQBZGAKWSA-N
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