EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:117970 - N-[(2S,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
| Formula | C21H29ClN2O5 |
| Net Charge | 0 |
| Average Mass | 424.925 |
| Monoisotopic Mass | 424.17650 |
| SMILES | O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl |
| InChI | InChI=1S/C21H29ClN2O5/c22-17-4-2-1-3-15(17)12-23-20(26)11-16-5-6-18(19(13-25)29-16)24-21(27)14-7-9-28-10-8-14/h1-4,14,16,18-19,25H,5-13H2,(H,23,26)(H,24,27)/t16-,18+,19-/m1/s1 |
| InChIKey | FKDHCSBIQDWEMT-NZSAHSFTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide (CHEBI:117970) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29419 | LINCS |