EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128460 - (6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:128460
ChEBI Name(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
Stars
DownloadsMolfile
FormulaC21H22BrN3O4
Net Charge0
Average Mass460.328
Monoisotopic Mass459.07937
SMILESCOc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(Br)cc2)[C@@H]3CO)cc1
InChIInChI=1S/C21H22BrN3O4/c1-29-16-8-6-15(7-9-16)23-21(28)24-10-17-20(13-2-4-14(22)5-3-13)18(12-26)25(17)19(27)11-24/h2-9,17-18,20,26H,10-12H2,1H3,(H,23,28)/t17-,18+,20+/m1/s1
InChIKeyMDIYKUMEFYKWKI-HBFSDRIKSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:128460) is a azetidines (CHEBI:38777)
(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:128460) is a benzenes (CHEBI:22712)
(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:128460) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-40014LINCS