EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H30F2N4O5 |
| Net Charge | 0 |
| Average Mass | 456.490 |
| Monoisotopic Mass | 456.21843 |
| SMILES | O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)Nc2cc(F)ccc2F)O[C@H]1CO |
| InChI | InChI=1S/C21H30F2N4O5/c22-14-1-3-16(23)18(11-14)26-21(30)24-6-5-15-2-4-17(19(13-28)32-15)25-20(29)12-27-7-9-31-10-8-27/h1,3,11,15,17,19,28H,2,4-10,12-13H2,(H,25,29)(H2,24,26,30)/t15-,17+,19+/m1/s1 |
| InChIKey | ULTMRAJJWBMPBO-AYBZRNKSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide (CHEBI:122333) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33776 | LINCS |