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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:130076
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H37N3O3
Net Charge 0
Average Mass 475.623
Monoisotopic Mass 475.28349
InChI InChI=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
InChIKey KWABQMVVYZLQHG-HZFUHODCSA-N
SMILES CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)NC4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing (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 Xref Database
LSM-41626 LINCS
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