EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H31N3O3S |
| Net Charge | 0 |
| Average Mass | 465.619 |
| Monoisotopic Mass | 465.20861 |
| SMILES | CC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)c1ccc(-c2ccccc2)n1 |
| InChI | InChI=1S/C26H31N3O3S/c1-26(2,3)28-24(30)23(22-12-8-16-33-22)29(17-19-11-7-15-32-19)25(31)21-14-13-20(27-21)18-9-5-4-6-10-18/h4-6,8-10,12-14,16,19,23,27H,7,11,15,17H2,1-3H3,(H,28,30) |
| InChIKey | GXLXLQYIOKTBOF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-oxolanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide (CHEBI:105461) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16824 | LINCS |