EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H36FN3O5 |
| Net Charge | 0 |
| Average Mass | 501.599 |
| Monoisotopic Mass | 501.26390 |
| SMILES | COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1cccc(F)c1)C[C@@H](C)[C@@H](OC)CN(C)C2=O |
| InChI | InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19+,25+/m1/s1 |
| InChIKey | KGYIFIZLZVXLPC-WYEJZRMESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(5R,6R,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide (CHEBI:99009) is a azamacrocycle (CHEBI:52898) |
| N-[(5R,6R,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide (CHEBI:99009) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10388 | LINCS |