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CHEBI:91674 - 2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid

ChEBI IDCHEBI:91674
ChEBI Name2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid
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DownloadsMolfile
FormulaC15H14BrNO3S2
Net Charge0
Average Mass400.319
Monoisotopic Mass398.95985
SMILESCC(C)C(C(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S
InChIInChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)
InChIKeyCOHIEJLWRGREHV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid (CHEBI:91674) is a valine derivative (CHEBI:27267)
Manual XrefsDatabases
LSM-1513LINCS