EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H32N4O3 |
| Net Charge | 0 |
| Average Mass | 412.534 |
| Monoisotopic Mass | 412.24744 |
| SMILES | CCCN(C)C[C@H]1Oc2ncc(-c3cccnc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C |
| InChI | InChI=1S/C23H32N4O3/c1-5-9-26(4)14-21-16(2)13-27(17(3)15-28)23(29)20-10-19(12-25-22(20)30-21)18-7-6-8-24-11-18/h6-8,10-12,16-17,21,28H,5,9,13-15H2,1-4H3/t16-,17-,21-/m1/s1 |
| InChIKey | BPESNTJMOWBTKP-CBGDNZLLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:128244) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39799 | LINCS |