EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128838 - (6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:128838
ChEBI Name(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC20H20BrN3O3
Net Charge0
Average Mass430.302
Monoisotopic Mass429.06880
SMILESO=C(Cc1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO
InChIInChI=1S/C20H20BrN3O3/c21-15-3-1-14(2-4-15)20-16-10-23(11-19(27)24(16)17(20)12-25)18(26)9-13-5-7-22-8-6-13/h1-8,16-17,20,25H,9-12H2/t16-,17+,20-/m1/s1
InChIKeyOJCJNUJOIVBJQI-FUHIMQAGSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128838) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128838) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128838) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-40390LINCS