EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N5O5S |
| Net Charge | 0 |
| Average Mass | 485.566 |
| Monoisotopic Mass | 485.17329 |
| SMILES | COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCC(C)C)c1ccco1 |
| InChI | InChI=1S/C23H27N5O5S/c1-13(2)10-11-26-22(30)19(16-9-6-12-33-16)28(14-7-4-5-8-15(14)32-3)23(31)20-17(24)18(21(25)29)27-34-20/h4-9,12-13,19H,10-11,24H2,1-3H3,(H2,25,29)(H,26,30) |
| InChIKey | JXXGCRJADXYTNC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-amino-N5-[1-(2-furanyl)-2-(3-methylbutylamino)-2-oxoethyl]-N5-(2-methoxyphenyl)isothiazole-3,5-dicarboxamide (CHEBI:121133) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32576 | LINCS |