EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H35FN4O5 |
| Net Charge | 0 |
| Average Mass | 526.609 |
| Monoisotopic Mass | 526.25915 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)Nc2ccccc2F)C[C@H]1C |
| InChI | InChI=1S/C28H35FN4O5/c1-17-14-33(28(36)31-23-8-6-5-7-22(23)29)18(2)16-38-24-13-20(30-26(34)19-9-10-19)11-12-21(24)27(35)32(3)15-25(17)37-4/h5-8,11-13,17-19,25H,9-10,14-16H2,1-4H3,(H,30,34)(H,31,36)/t17-,18-,25-/m1/s1 |
| InChIKey | RFBSRVOVWGOAAG-QJMRKGMQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5S,6R,9R)-14-[[cyclopropyl(oxo)methyl]amino]-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:100603) is a azamacrocycle (CHEBI:52898) |
| (5S,6R,9R)-14-[[cyclopropyl(oxo)methyl]amino]-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:100603) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11977 | LINCS |