L-α-Glutamyl-S-(Chloromethyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C11H18ClN3O6S
IUPAC Name (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-(chloromethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 355.795 g·mol−1
Heat of Formation -1139.6 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 394.96 Å 3
Surface Area 337.95 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-(chloromethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(chloromethylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (4s)-4-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(chloromethylthio)methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (4s)-4-amino-5-[[(2r)-1-(carboxymethylamino)-3-(chloromethylsulfanyl)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • glycine, n-(s-(chloromethyl)-n-l-gamma-glutamyl-l-cysteinyl)-
  • gsch2cl
  • s-chloromethylglutathione
CAS Number(s)
  • 150956-90-4
InChIKey KLNCYXOZAXNSKO-BQBZGAKWSA-N
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Elements C Cl H O N S