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Substance Name: 2-S-Glutathionylcaffeic acid
RN: 100045-68-9
InChIKey: ILYQAUGSZQOWCA-QHHAFSJGSA-N

Note

  • Inhibits glutathione S-transferase.

Molecular Formula

  • C19-H23-N3-O10-S

Molecular Weight

  • 485.468
 
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Names and Synonyms

Name of Substance

  • 2-S-Glutathionylcaffeic acid

Synonyms

  • (E)-N-(S-(6-(2-Carboxyethenyl)-2,3-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine
  • 2-Gsca

Systematic Name

  • Glycine, N-(S-(6-(2-carboxyethenyl)-2,3-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 100045-68-9

System Generated Number

  • 0100045689

Structure Descriptors

InChI

1S/C19H23N3O10S/c20-10(19(31)32)3-5-13(24)22-11(18(30)21-7-15(27)28)8-33-17-9(2-6-14(25)26)1-4-12(23)16(17)29/h1-2,4,6,10-11,23,29H,3,5,7-8,20H2,(H,21,30)(H,22,24)(H,25,26)(H,27,28)(H,31,32)/b6-2+

InChIKey

ILYQAUGSZQOWCA-QHHAFSJGSA-N

Smiles

OC([C@@H](N)CCC(N[C@@H](C(NCC(O)=O)=O)CSc1c(ccc(c1O)O)\C=C\C(O)=O)=O)=O