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CHEBI:129696 - 4-[[(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester

ChEBI IDCHEBI:129696
ChEBI Name4-[[(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
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DownloadsMolfile
FormulaC22H23BrN2O4
Net Charge0
Average Mass459.340
Monoisotopic Mass458.08412
SMILESCOC(=O)c1ccc(CN2CC(=O)N3[C@H](C2)[C@@H](c2ccc(Br)cc2)[C@@H]3CO)cc1
InChIInChI=1S/C22H23BrN2O4/c1-29-22(28)16-4-2-14(3-5-16)10-24-11-18-21(15-6-8-17(23)9-7-15)19(13-26)25(18)20(27)12-24/h2-9,18-19,21,26H,10-13H2,1H3/t18-,19+,21-/m1/s1
InChIKeyDLNRXCNZCYEQJO-SVFBPWRDSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester (CHEBI:129696) is a azetidines (CHEBI:38777)
4-[[(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester (CHEBI:129696) is a benzenes (CHEBI:22712)
4-[[(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester (CHEBI:129696) is a ring assembly (CHEBI:36820)
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