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CHEBI:107268 - 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid

ChEBI IDCHEBI:107268
ChEBI Name2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
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DownloadsMolfile
FormulaC20H23NO5S2
Net Charge0
Average Mass421.540
Monoisotopic Mass421.10176
SMILESCOC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)CSCC(=O)O
InChIInChI=1S/C20H23NO5S2/c1-20(2,3)13-7-5-12(6-8-13)15-9-14(18(28-15)19(25)26-4)21-16(22)10-27-11-17(23)24/h5-9H,10-11H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyQZLMIUVUIJWPFI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid (CHEBI:107268) is a alkylbenzene (CHEBI:38976)
Manual XrefsDatabases
LSM-18622LINCS