EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:127452 - cyclohexyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
| Formula | C25H29N3O3 |
| Net Charge | 0 |
| Average Mass | 419.525 |
| Monoisotopic Mass | 419.22089 |
| SMILES | O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 |
| InChI | InChI=1S/C25H29N3O3/c29-15-21-22(18-8-3-1-4-9-18)25(28(21)24(31)20-12-7-13-26-14-20)16-27(17-25)23(30)19-10-5-2-6-11-19/h1,3-4,7-9,12-14,19,21-22,29H,2,5-6,10-11,15-17H2/t21-,22+/m0/s1 |
| InChIKey | LLJZRPQVTFULKA-FCHUYYIVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclohexyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:127452) is a azetidines (CHEBI:38777) |
| cyclohexyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:127452) is a benzenes (CHEBI:22712) |
| cyclohexyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:127452) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39010 | LINCS |