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CHEBI:129735 - [(8R,9S,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

ChEBI IDCHEBI:129735
ChEBI Name[(8R,9S,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
Stars
DownloadsMolfile
FormulaC27H35N3O3S
Net Charge0
Average Mass481.662
Monoisotopic Mass481.23991
SMILESCc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1
InChIInChI=1S/C27H35N3O3S/c1-21-9-4-5-11-26(21)34(32,33)29-17-6-7-18-30-24(19-29)27(25(30)20-31)23-14-12-22(13-15-23)10-8-16-28(2)3/h4-5,9,11-15,24-25,27,31H,6-7,16-20H2,1-3H3/t24-,25+,27-/m0/s1
InChIKeyOWCQDSOVMCWDRH-WEWMWRJBSA-N
ChEBI Ontology
Outgoing Relation(s)
[(8R,9S,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129735) is a azetidines (CHEBI:38777)
[(8R,9S,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129735) is a benzenes (CHEBI:22712)
[(8R,9S,10S)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:129735) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
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