EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H29N3O4 |
| Net Charge | 0 |
| Average Mass | 471.557 |
| Monoisotopic Mass | 471.21581 |
| SMILES | COc1ccccc1NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO |
| InChI | InChI=1S/C28H29N3O4/c1-18-6-5-7-21(14-18)19-10-12-20(13-11-19)27-23-15-30(16-26(33)31(23)24(27)17-32)28(34)29-22-8-3-4-9-25(22)35-2/h3-14,23-24,27,32H,15-17H2,1-2H3,(H,29,34)/t23-,24+,27+/m1/s1 |
| InChIKey | RZOQTESVPDTACV-DXBVXKBHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S,7S,8R)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylphenyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129566) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41117 | LINCS |