EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125933 - (6R,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:125933
ChEBI Name(6R,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC25H28FN3O4
Net Charge0
Average Mass453.514
Monoisotopic Mass453.20638
SMILESO=C(CN1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1
InChIInChI=1S/C25H28FN3O4/c26-20-3-1-2-19(12-20)17-4-6-18(7-5-17)25-21-13-28(15-24(32)29(21)22(25)16-30)23(31)14-27-8-10-33-11-9-27/h1-7,12,21-22,25,30H,8-11,13-16H2/t21-,22-,25+/m0/s1
InChIKeyRQPOLBJBOCWUQJ-WRALFONMSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125933) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-37500LINCS