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CHEBI:125965 - (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:125965
ChEBI Name(8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Stars
DownloadsMolfile
FormulaC28H33N3O3
Net Charge0
Average Mass459.590
Monoisotopic Mass459.25219
SMILESCOc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1
InChIInChI=1S/C28H33N3O3/c1-34-26-7-3-2-6-23(26)29-28(33)30-16-4-5-17-31-24(18-30)27(25(31)19-32)22-14-12-21(13-15-22)11-10-20-8-9-20/h2-3,6-7,12-15,20,24-25,27,32H,4-5,8-9,16-19H2,1H3,(H,29,33)/t24-,25-,27+/m0/s1
InChIKeyAHQYKPATUFYNTP-OHSXHVKISA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:125965) is a azetidines (CHEBI:38777)
(8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:125965) is a benzenes (CHEBI:22712)
(8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:125965) is a ring assembly (CHEBI:36820)
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