EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H28N4O3 |
| Net Charge | 0 |
| Average Mass | 408.502 |
| Monoisotopic Mass | 408.21614 |
| SMILES | CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1cccnc1)C2 |
| InChI | InChI=1S/C23H28N4O3/c1-16(2)25-22(30)27-19(13-28)21(18-8-4-3-5-9-18)23(27)14-26(15-23)20(29)11-17-7-6-10-24-12-17/h3-10,12,16,19,21,28H,11,13-15H2,1-2H3,(H,25,30)/t19-,21+/m1/s1 |
| InChIKey | SIKHWUIDTFHNIZ-CTNGQTDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S)-2-(hydroxymethyl)-6-[1-oxo-2-(3-pyridinyl)ethyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-1-carboxamide (CHEBI:125969) is a azetidines (CHEBI:38777) |
| (2S,3S)-2-(hydroxymethyl)-6-[1-oxo-2-(3-pyridinyl)ethyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-1-carboxamide (CHEBI:125969) is a benzenes (CHEBI:22712) |
| (2S,3S)-2-(hydroxymethyl)-6-[1-oxo-2-(3-pyridinyl)ethyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-1-carboxamide (CHEBI:125969) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37536 | LINCS |