CHEBI:92782 - 4-[5-amino-3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-thiophenyl]butanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[5-amino-3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-thiophenyl]butanoic acid
ChEBI ID CHEBI:92782
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H16F3NO3S
Net Charge 0
Average Mass 371.376
Monoisotopic Mass 371.08030
InChI InChI=1S/C17H16F3NO3S/c1-9-12(6-3-7-13(22)23)25-16(21)14(9)15(24)10-4-2-5-11(8-10)17(18,19)20/h2,4-5,8H,3,6-7,21H2,1H3,(H,22,23)
InChIKey VKIOQVZNZFRNDU-UHFFFAOYSA-N
SMILES CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)CCCC(=O)O
ChEBI Ontology
Outgoing 4-[5-amino-3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-thiophenyl]butanoic acid (CHEBI:92782) is a thiophenes (CHEBI:26961)
Manual Xref Database
LSM-2984 LINCS
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