EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:109644 - 4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid

Default Structure
ChEBI IDCHEBI:109644
ChEBI Name4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid
Stars
DownloadsMolfile
FormulaC17H17FN2O3
Net Charge0
Average Mass316.332
Monoisotopic Mass316.12232
SMILESO=C(O)CCC(=O)N(Cc1cccnc1)Cc1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c18-15-5-1-3-13(9-15)11-20(16(21)6-7-17(22)23)12-14-4-2-8-19-10-14/h1-5,8-10H,6-7,11-12H2,(H,22,23)
InChIKeyCLTYJNKBJYAQSI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid (CHEBI:109644) is a organofluorine compound (CHEBI:37143)
Manual XrefsDatabases
LSM-21072LINCS