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CHEBI:131031 - (6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:131031
ChEBI Name(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC21H26N2O2
Net Charge0
Average Mass338.451
Monoisotopic Mass338.19943
SMILESO=C1CNC[C@H]2[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H](CO)N12
InChIInChI=1S/C21H26N2O2/c24-14-19-21(18-12-22-13-20(25)23(18)19)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h8-11,15,18-19,21-22,24H,1-5,12-14H2/t18-,19+,21-/m0/s1
InChIKeyXPSHGEXNPFHUTP-ZVDOUQERSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131031) is a azetidines (CHEBI:38777)
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131031) is a benzenes (CHEBI:22712)
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131031) is a ring assembly (CHEBI:36820)
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