CHEBI:128001 - 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol

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ChEBI Name 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol ChEBI ID CHEBI:128001 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H30N2O4S Net Charge 0 Average Mass 406.541 Monoisotopic Mass 406.19263 InChI InChI=1S/C21H30N2O4S/c1-21(2,25)11-10-16-6-8-17(9-7-16)20-18-14-22(28(3,26)27)12-4-5-13-23(18)19(20)15-24/h6-9,18-20,24-25H,4-5,12-15H2,1-3H3/t18-,19-,20+/m0/s1 InChIKey YEHATWKIPRQBPF-SLFFLAALSA-N SMILES CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O ChEBI Ontology Outgoing 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol (CHEBI:128001) is a azetidines (CHEBI:38777) 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol (CHEBI:128001) is a benzenes (CHEBI:22712) 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol (CHEBI:128001) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-39557 LINCS View more database links