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CHEBI:126327 - (6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126327
ChEBI Name(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC27H34N2O4
Net Charge0
Average Mass450.579
Monoisotopic Mass450.25186
SMILESO=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C27H34N2O4/c30-18-24-26(21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19)23-16-28(17-25(31)29(23)24)27(32)22-12-14-33-15-13-22/h8-11,19,22-24,26,30H,1-5,12-18H2/t23-,24-,26+/m0/s1
InChIKeyDRZNMONMJLUVJV-KYPHJKQUSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126327) is a azetidines (CHEBI:38777)
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126327) is a benzenes (CHEBI:22712)
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126327) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-37893LINCS