Chem
J-GLOBAL ID：200907018992057340   Nikkaji number：J755.658F

S-(2-Chloroacetyl)glutathione

S-(2-クロロアセチル)グルタチオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H18ClN3O7S
Molecular formula furigana： C12-H18-CL-N3-O7-S
Molecular weight： 383.800
InChI： InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1
InChI key： QJDRMMRBPVHMAD-BQBZGAKWSA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CSC(=O)CCl)C(=O)NCC(=O)O)C(=O)O
Systematic name  (4)：
  • L-γGlu-S-(クロロアセチル)-L-Cys-Gly-OH
  • L-γGlu-S-(2-クロロアセチル)-L-Cys-Gly-OH
  • (2S)-2-アミノ-4-{[(1R)-1-[(カルボキシメチル)カルバモイル]-2-[(2-クロロアセチル)スルファニル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(2-chloroacetyl)sulfanyl]ethyl]carbamoyl}butanoic acid
Other name (4)：
  • L-γGlu-S-(Chloroacetyl)-L-Cys-Gly-OH
  • L-γGlu-S-(2-Chloroacetyl)-L-Cys-Gly-OH
  • S-(2-Chloroacetyl)glutathione
  • S-(2-クロロアセチル)グルタチオン
CAS registry number： 113668-38-5
KEGG COMPOUND： C14864
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