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 | CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 |
| InChI | InChI=1S/C22H26N4O3/c1-15(2)24-21(29)25-13-22(14-25)19(16-8-4-3-5-9-16)18(12-27)26(22)20(28)17-10-6-7-11-23-17/h3-11,15,18-19,27H,12-14H2,1-2H3,(H,24,29)/t18-,19-/m1/s1 |
| InChIKey | LWBQJMKYBYQDDB-RTBURBONSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:127866) is a azetidines (CHEBI:38777) |
| (2S,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:127866) is a benzenes (CHEBI:22712) |
| (2S,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:127866) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39422 | LINCS |