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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid
ChEBI ID CHEBI:109644
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H17FN2O3
Net Charge 0
Average Mass 316.328
Monoisotopic Mass 316.12232
InChI InChI=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)
InChIKey CLTYJNKBJYAQSI-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)F)CN(CC2=CN=CC=C2)C(=O)CCC(=O)O
ChEBI Ontology
Outgoing 4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid (CHEBI:109644) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
LSM-21072 LINCS
View more database links