CHEBI:126067 - [(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

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ChEBI Name [(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
ChEBI ID CHEBI:126067
Stars This entity has been manually annotated by a third party.
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Formula C28H34N2O3S
Net Charge 0
Average Mass 478.648
Monoisotopic Mass 478.22901
InChI InChI=1S/C28H34N2O3S/c31-21-27-28(24-16-14-23(15-17-24)13-12-22-8-4-5-9-22)26-20-29(18-6-7-19-30(26)27)34(32,33)25-10-2-1-3-11-25/h1-3,10-11,14-17,22,26-28,31H,4-9,18-21H2/t26-,27-,28-/m0/s1
InChIKey OYGJGQMEHJXORO-KCHLEUMXSA-N
SMILES C1CCC(C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@H]3CO)S(=O)(=O)C5=CC=CC=C5
ChEBI Ontology
Outgoing [(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:126067) is a azetidines (CHEBI:38777)
[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:126067) is a benzenes (CHEBI:22712)
[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:126067) is a ring assembly (CHEBI:36820)
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