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CHEBI:127400 - 4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol

ChEBI IDCHEBI:127400
ChEBI Name4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
Stars
DownloadsMolfile
FormulaC21H30N2O4S
Net Charge0
Average Mass406.548
Monoisotopic Mass406.19263
SMILESCC(C)(O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1
InChIInChI=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
InChIKeyYEHATWKIPRQBPF-UFYCRDLUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol (CHEBI:127400) is a azetidines (CHEBI:38777)
4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol (CHEBI:127400) is a benzenes (CHEBI:22712)
4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol (CHEBI:127400) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38958LINCS