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CHEBI:760757 - 2‐[2,3‐dichloro‐4‐(2‐(methylglutathion-S-yl)butanoyl)phenoxy]acetate(2-)

Default Structure
ChEBI IDCHEBI:760757
ChEBI Name2‐[2,3‐dichloro‐4‐(2‐(methylglutathion-S-yl)butanoyl)phenoxy]acetate(2-)
Stars
DefinitionThe glutathione conjugate of etacrynate.
Last Modified17 August 2026
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC23H27Cl2N3O10S
Net Charge-2
Average Mass608.453
Monoisotopic Mass607.08052
SMILESCCC(CSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl
InChIInChI=1S/C23H29Cl2N3O10S/c1-2-11(21(34)12-3-5-15(20(25)19(12)24)38-8-18(32)33)9-39-10-14(22(35)27-7-17(30)31)28-16(29)6-4-13(26)23(36)37/h3,5,11,13-14H,2,4,6-10,26H2,1H3,(H,27,35)(H,28,29)(H,30,31)(H,32,33)(H,36,37)/p-2/t11?,13-,14-/m0/s1
InChIKeyXJTHIRMZZQABBU-VNXPTHQBSA-L
ChEBI Ontology
Outgoing Relation(s)
2‐[2,3‐dichloro‐4‐(2‐(methylglutathion-S-yl)butanoyl)phenoxy]acetate(2-) (CHEBI:760757) is a S-substituted glutathione(1−) (CHEBI:90779)
UniProt Name  Source
2‐[2,3‐dichloro‐4‐(2‐(methylglutathion-S-yl)butanoyl)phenoxy]acetateUniProt