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CHEBI:130317 - (6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:130317
ChEBI Name(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
Stars
DownloadsMolfile
FormulaC28H31N3O3
Net Charge0
Average Mass457.574
Monoisotopic Mass457.23654
SMILESO=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C28H31N3O3/c32-19-25-27(22-15-13-21(14-16-22)12-11-20-7-3-1-4-8-20)24-17-30(18-26(33)31(24)25)28(34)29-23-9-5-2-6-10-23/h2,5-6,9-10,13-16,20,24-25,27,32H,1,3-4,7-8,17-19H2,(H,29,34)/t24-,25-,27-/m0/s1
InChIKeyVRBTUMPNFWEVOL-KLJDGLGGSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:130317) is a azetidines (CHEBI:38777)
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:130317) is a benzenes (CHEBI:22712)
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:130317) is a ring assembly (CHEBI:36820)
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