EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H36N4O4 |
| Net Charge | 0 |
| Average Mass | 504.631 |
| Monoisotopic Mass | 504.27366 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C29H36N4O4/c1-19-16-33(20(2)18-34)28(35)24-15-22(31(3)4)13-14-26(24)37-27(19)17-32(5)29(36)30-25-12-8-10-21-9-6-7-11-23(21)25/h6-15,19-20,27,34H,16-18H2,1-5H3,(H,30,36)/t19-,20-,27-/m1/s1 |
| InChIKey | FZIWMBCZXHBNOC-SEXOINJZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:124386) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-35828 | LINCS |