EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:129201 - (8R,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:129201
ChEBI Name(8R,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Stars
DownloadsMolfile
FormulaC30H32N4O3
Net Charge0
Average Mass496.611
Monoisotopic Mass496.24744
SMILESCOc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1
InChIInChI=1S/C30H32N4O3/c1-37-28-10-3-2-9-25(28)32-30(36)33-15-4-5-16-34-26(19-33)29(27(34)20-35)23-13-11-22(12-14-23)24-8-6-7-21(17-24)18-31/h2-3,6-14,17,26-27,29,35H,4-5,15-16,19-20H2,1H3,(H,32,36)/t26-,27-,29-/m0/s1
InChIKeyWYTFSBUXHVGTCT-YCVJPRETSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129201) is a biphenyls (CHEBI:22888)
(8R,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129201) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-40752LINCS