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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid
ChEBI ID CHEBI:91674
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H14BrNO3S2
Net Charge 0
Average Mass 400.313
Monoisotopic Mass 398.95985
InChI InChI=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)
InChIKey COHIEJLWRGREHV-UHFFFAOYSA-N
SMILES CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)Br)SC1=S
ChEBI Ontology
Outgoing 2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid (CHEBI:91674) is a valine derivative (CHEBI:27267)
Manual Xref Database
LSM-1513 LINCS
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