EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H36N4O4 |
| Net Charge | 0 |
| Average Mass | 492.620 |
| Monoisotopic Mass | 492.27366 |
| SMILES | CNC[C@@H]1Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C |
| InChI | InChI=1S/C28H36N4O4/c1-18-15-32(19(2)17-33)28(35)13-20-11-22(9-10-25(20)36-26(18)14-29-3)30-27(34)12-21-16-31(4)24-8-6-5-7-23(21)24/h5-11,16,18-19,26,29,33H,12-15,17H2,1-4H3,(H,30,34)/t18-,19-,26-/m0/s1 |
| InChIKey | HWLKGEICWASWGJ-DGUDUIIESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:124167) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-35609 | LINCS |