EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:759826 - cr-3465 free acid

Default Structure
ChEBI IDCHEBI:759826
ChEBI Namecr-3465 free acid
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H22FN3O4
Net Charge0
Average Mass495.510
Monoisotopic Mass495.15943
SMILESO=C(N[C@@H](Cc1ccc(OCc2ccc3ccc(F)cc3n2)cc1)C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C29H22FN3O4/c30-21-10-7-20-8-11-22(31-26(20)16-21)17-37-23-12-5-18(6-13-23)15-27(29(35)36)33-28(34)25-14-9-19-3-1-2-4-24(19)32-25/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36)/t27-/m0/s1
InChIKeyXBKBJNOSNDZQGN-MHZLTWQESA-N
ChEBI Ontology
Outgoing Relation(s)
cr-3465 free acid (CHEBI:759826) is a phenylalanine derivative (CHEBI:25985)