Chem
J-GLOBAL ID：200907064442984520   Nikkaji number：J1.095.308A

trans- S-(1,2-Dichlorovinyl)glutathione

trans-S-(1,2-ジクロロビニル)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： C12H17Cl2N3O6S
Molecular formula furigana： C12-H17-CL2-N3-O6-S
Molecular weight： 402.240
InChI： InChI=1S/C12H17Cl2N3O6S/c13-3-8(14)24-5-7(11(21)16-4-10(19)20)17-9(18)2-1-6(15)12(22)23/h3,6-7H,1-2,4-5,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/b8-3-/t6-,7-/m0/s1
InChI key： IXARYIJEQUJTIZ-KWRIXSAHSA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CS/C(=C\Cl)/Cl)C(=O)NCC(=O)O)C(=O)O
Systematic name  (3)：
  • L-γGlu-S-[(E)-1,2-ジクロロエテニル]-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-{[(1E)-1,2-ジクロロエテニル]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-{[(1E)-1,2-dichloroethenyl]sulfanyl}ethyl]carbamoyl}butanoic acid
Other name (3)：
  • L-γGlu-S-[(E)-1,2-Dichloroethenyl]-L-Cys-Gly-OH
  • trans-S-(1,2-ジクロロビニル)グルタチオン
  • trans- S-(1,2-Dichlorovinyl)glutathione
CAS registry number： 96614-59-4
KEGG COMPOUND： C14868
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