CHEBI:126089 - 4-[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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ChEBI Name 4-[4-[(8R,9S,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:126089
Stars This entity has been manually annotated by a third party.
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Formula C26H35N3O4S
Net Charge 0
Average Mass 485.641
Monoisotopic Mass 485.23483
InChI InChI=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
InChIKey XKMPVOSJABXCIB-SDHOMARFSA-N
SMILES CCS(=O)(=O)N1CCCCN2[C@@H](C1)[C@@H]([C@@H]2CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N(C)C
ChEBI Ontology
Outgoing 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 Xref Database
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