EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H39N3O6 |
| Net Charge | 0 |
| Average Mass | 573.690 |
| Monoisotopic Mass | 573.28389 |
| SMILES | COCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@H]1C |
| InChI | InChI=1S/C33H39N3O6/c1-22-18-36(31(37)21-40-4)23(2)20-42-29-16-15-27(17-28(29)33(39)35(3)19-30(22)41-5)34-32(38)26-13-11-25(12-14-26)24-9-7-6-8-10-24/h6-17,22-23,30H,18-21H2,1-5H3,(H,34,38)/t22-,23-,30-/m1/s1 |
| InChIKey | RAFMLKNPZZMZRA-IQLGONJTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide (CHEBI:102745) is a azamacrocycle (CHEBI:52898) |
| N-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide (CHEBI:102745) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14091 | LINCS |