CHEBI:129568 - [(8R,9R,10R)-6-(3-methoxyphenyl)sulfonyl-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [(8R,9R,10R)-6-(3-methoxyphenyl)sulfonyl-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
ChEBI ID CHEBI:129568
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H36N2O4S
Net Charge 0
Average Mass 496.664
Monoisotopic Mass 496.23958
InChI InChI=1S/C28H36N2O4S/c1-21(2)8-6-9-22-12-14-23(15-13-22)28-26-19-29(16-4-5-17-30(26)27(28)20-31)35(32,33)25-11-7-10-24(18-25)34-3/h7,10-15,18,21,26-28,31H,4-5,8,16-17,19-20H2,1-3H3/t26-,27-,28+/m0/s1
InChIKey WJFNNSWULALGOK-HZFUHODCSA-N
SMILES CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C4=CC=CC(=C4)OC
ChEBI Ontology
Outgoing [(8R,9R,10R)-6-(3-methoxyphenyl)sulfonyl-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129568) is a azetidines (CHEBI:38777)
[(8R,9R,10R)-6-(3-methoxyphenyl)sulfonyl-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129568) is a benzenes (CHEBI:22712)
[(8R,9R,10R)-6-(3-methoxyphenyl)sulfonyl-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129568) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41119 LINCS
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