EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127976 - (6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127976
ChEBI Name(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC28H29FN2O3
Net Charge0
Average Mass460.549
Monoisotopic Mass460.21622
SMILESO=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C28H29FN2O3/c29-23-14-12-22(13-15-23)28(34)30-16-24-27(25(18-32)31(24)26(33)17-30)21-10-8-20(9-11-21)7-3-6-19-4-1-2-5-19/h8-15,19,24-25,27,32H,1-2,4-6,16-18H2/t24-,25-,27+/m0/s1
InChIKeyXFRFIHVPRYILDM-OHSXHVKISA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127976) is a azetidines (CHEBI:38777)
(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127976) is a benzenes (CHEBI:22712)
(6R,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127976) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39532LINCS