EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H30N2O4S |
| Net Charge | 0 |
| Average Mass | 442.581 |
| Monoisotopic Mass | 442.19263 |
| SMILES | COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 |
| InChI | InChI=1S/C24H30N2O4S/c1-30-22-6-4-3-5-20(22)18-9-11-19(12-10-18)23-21(14-27)26(13-17-7-8-17)24(23)15-25(16-24)31(2,28)29/h3-6,9-12,17,21,23,27H,7-8,13-16H2,1-2H3/t21-,23+/m0/s1 |
| InChIKey | SZNRLOSZMNIQEX-JTHBVZDNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3R)-1-(cyclopropylmethyl)-3-[4-(2-methoxyphenyl)phenyl]-6-methylsulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:128781) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40333 | LINCS |