EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H30ClN3O3 |
| Net Charge | 0 |
| Average Mass | 431.964 |
| Monoisotopic Mass | 431.19757 |
| SMILES | C[C@H]1CC=CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2CNC1=O |
| InChI | InChI=1S/C23H30ClN3O3/c1-16-5-2-3-6-18(13-21(28)25-14-17-8-10-19(24)11-9-17)23(30)27-12-4-7-20(27)15-26-22(16)29/h2-3,8-11,16,18,20H,4-7,12-15H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20-/m0/s1 |
| InChIKey | JZSLOJVWMSSHIL-QRFRQXIXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36766 (CHEBI:125295) is a azamacrocycle (CHEBI:52898) |
| LSM-36766 (CHEBI:125295) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36766 | LINCS |