CHEBI:91864 - 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
ChEBI ID CHEBI:91864
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H18BrNO4S
Net Charge 0
Average Mass 412.299
Monoisotopic Mass 411.01399
InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)
InChIKey GJOCABIDMCKCEG-UHFFFAOYSA-N
SMILES CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br
ChEBI Ontology
Outgoing 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid (CHEBI:91864) is a biphenyls (CHEBI:22888)
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid (CHEBI:91864) is a organobromine compound (CHEBI:37141)
Manual Xref Database
LSM-1790 LINCS
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