EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26N4O3 |
| Net Charge | 0 |
| Average Mass | 394.475 |
| Monoisotopic Mass | 394.20049 |
| SMILES | CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 |
| InChI | InChI=1S/C22H26N4O3/c1-2-10-24-21(29)25-14-22(15-25)19(16-6-4-3-5-7-16)18(13-27)26(22)20(28)17-8-11-23-12-9-17/h3-9,11-12,18-19,27H,2,10,13-15H2,1H3,(H,24,29)/t18-,19+/m0/s1 |
| InChIKey | BPXDWACVEOBODR-RBUKOAKNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:126953) is a azetidines (CHEBI:38777) |
| (2R,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:126953) is a benzenes (CHEBI:22712) |
| (2R,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:126953) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38516 | LINCS |