EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126356 - (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126356
ChEBI Name(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC26H29N3O3
Net Charge0
Average Mass431.536
Monoisotopic Mass431.22089
SMILESO=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C26H29N3O3/c30-17-23-26(21-10-8-20(9-11-21)19-6-2-1-3-7-19)22-15-28(16-25(32)29(22)23)24(31)13-18-5-4-12-27-14-18/h4-6,8-12,14,22-23,26,30H,1-3,7,13,15-17H2/t22-,23-,26+/m0/s1
InChIKeyYYSUXJFSBKSHET-JCYRPKCISA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126356) is a azetidines (CHEBI:38777)
(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126356) is a benzenes (CHEBI:22712)
(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126356) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-37921LINCS