EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128934 - (8S,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:128934
ChEBI Name(8S,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](C1)[C@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO
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+/m1/s1
InChIKeyWYTFSBUXHVGTCT-XQFUHLNNSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128934) is a biphenyls (CHEBI:22888)
(8S,9S,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128934) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-40486LINCS