EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H33N3O6 |
| Net Charge | 0 |
| Average Mass | 507.587 |
| Monoisotopic Mass | 507.23694 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C(=O)c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C28H33N3O6/c1-17-13-31(18(2)15-32)28(34)22-10-21(19-6-4-5-7-19)12-29-26(22)37-25(17)14-30(3)27(33)20-8-9-23-24(11-20)36-16-35-23/h6,8-12,17-18,25,32H,4-5,7,13-16H2,1-3H3/t17-,18-,25+/m1/s1 |
| InChIKey | PGLSEMLPCXRKER-GAKIBJFNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:96623) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8002 | LINCS |