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CHEBI:126089 - 4-[4-[(8R,9S,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:126089
ChEBI Name4-[4-[(8R,9S,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC26H35N3O4S
Net Charge0
Average Mass485.650
Monoisotopic Mass485.23483
SMILESCCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1
InChIInChI=1S/C26H35N3O4S/c1-4-34(32,33)28-15-5-6-16-29-23(17-28)25(24(29)18-30)21-11-7-19(8-12-21)20-9-13-22(14-10-20)26(31)27(2)3/h7-14,23-25,30H,4-6,15-18H2,1-3H3/t23-,24-,25-/m0/s1
InChIKeyXKMPVOSJABXCIB-SDHOMARFSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(8R,9S,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:126089) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-37656LINCS