EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130076 - (8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:130076
ChEBI Name(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Stars
DownloadsMolfile
FormulaC29H37N3O3
Net Charge0
Average Mass475.633
Monoisotopic Mass475.28349
SMILESCOc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1
InChIInChI=1S/C29H37N3O3/c1-21(2)7-6-8-22-9-11-23(12-10-22)28-26-19-31(17-4-5-18-32(26)27(28)20-33)29(34)30-24-13-15-25(35-3)16-14-24/h9-16,21,26-28,33H,4-5,7,17-20H2,1-3H3,(H,30,34)/t26-,27-,28+/m0/s1
InChIKeyKWABQMVVYZLQHG-HZFUHODCSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130076) is a azetidines (CHEBI:38777)
(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130076) is a benzenes (CHEBI:22712)
(8R,9R,10R)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130076) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-41626LINCS