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CHEBI:129084 - (8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:129084
ChEBI Name(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Stars
DownloadsMolfile
FormulaC31H33N3O3
Net Charge0
Average Mass495.623
Monoisotopic Mass495.25219
SMILESCOc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1
InChIInChI=1S/C31H33N3O3/c1-37-29-12-6-5-11-26(29)32-31(36)33-19-7-8-20-34-27(21-33)30(28(34)22-35)25-17-15-24(16-18-25)14-13-23-9-3-2-4-10-23/h2-6,9-12,15-18,27-28,30,35H,7-8,19-22H2,1H3,(H,32,36)/t27-,28-,30+/m0/s1
InChIKeySLKWXVVSRMTQQR-TWLDFKIOSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129084) is a azetidines (CHEBI:38777)
(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129084) is a benzenes (CHEBI:22712)
(8R,9R,10R)-10-(hydroxymethyl)-N-(2-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129084) is a ring assembly (CHEBI:36820)
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