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CHEBI:126568 - (6S,7S,8S)-4-ethylsulfonyl-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126568
ChEBI Name(6S,7S,8S)-4-ethylsulfonyl-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC21H23FN2O4S
Net Charge0
Average Mass418.490
Monoisotopic Mass418.13626
SMILESCCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1
InChIInChI=1S/C21H23FN2O4S/c1-2-29(27,28)23-11-18-21(19(13-25)24(18)20(26)12-23)15-8-6-14(7-9-15)16-4-3-5-17(22)10-16/h3-10,18-19,21,25H,2,11-13H2,1H3/t18-,19-,21+/m1/s1
InChIKeyNXTMWYCSTWYSIE-SBHAEUEKSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8S)-4-ethylsulfonyl-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126568) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38132LINCS