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

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Properties Simple | Detailed

Formula C11H18ClN3O6S
IUPAC Name (2s)-2-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 -1135.3 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 394.89 Å 3
Surface Area 353.96 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-(chloromethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(chloromethylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(chloromethylthio)methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-(chloromethylsulfanyl)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
InChIKey CHJNQYVYXPYGEW-BQBZGAKWSA-N
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