EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N4O6S2 |
| Net Charge | 0 |
| Average Mass | 492.579 |
| Monoisotopic Mass | 492.11373 |
| SMILES | CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)CC1 |
| InChI | InChI=1S/C21H24N4O6S2/c1-2-29-21(28)25-7-5-24(6-8-25)19(27)12-32-11-18(26)23-20-22-15(10-33-20)14-3-4-16-17(9-14)31-13-30-16/h3-4,9-10H,2,5-8,11-13H2,1H3,(H,22,23,26) |
| InChIKey | UWTSACVETMMCEI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-[[2-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:108476) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19852 | LINCS |