Chem
J-GLOBAL ID：201007031853637479   Nikkaji number：J2.789.590E

S-(2,2-Dichloro-1-hydroxy)ethyl glutathione

S-(2,2-ジクロロ-1-ヒドロキシ)エチルグルタチオン
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： C12H19Cl2N3O7S
Molecular formula furigana： C12-H19-CL2-N3-O7-S
Molecular weight： 420.260
InChI： InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1
InChI key： RULDRNMMLPUXQI-LBHDVABESA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CSC(O)C(Cl)Cl)C(=O)NCC(=O)O)C(=O)O
Systematic name  (3)：
  • L-γGlu-S-(2,2-ジクロロ-1-ヒドロキシエチル)-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-[(2,2-ジクロロ-1-ヒドロキシエチル)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-[(2,2-dichloro-1-hydroxyethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
Other name (3)：
  • L-γGlu-S-(2,2-Dichloro-1-hydroxyethyl)-L-Cys-Gly-OH
  • S-(2,2-Dichloro-1-hydroxy)ethyl glutathione
  • S-(2,2-ジクロロ-1-ヒドロキシ)エチルグルタチオン
KEGG COMPOUND： C14861
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