EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H38ClN3O7S |
| Net Charge | 0 |
| Average Mass | 608.157 |
| Monoisotopic Mass | 607.21190 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C |
| InChI | InChI=1S/C29H38ClN3O7S/c1-19-16-33(41(36,37)24-8-5-22(30)6-9-24)20(2)18-40-26-10-7-23(31-28(34)21-11-13-39-14-12-21)15-25(26)29(35)32(3)17-27(19)38-4/h5-10,15,19-21,27H,11-14,16-18H2,1-4H3,(H,31,34)/t19-,20-,27-/m1/s1 |
| InChIKey | IYBICYHBWQURDQ-SEXOINJZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide (CHEBI:101941) is a azamacrocycle (CHEBI:52898) |
| N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide (CHEBI:101941) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13302 | LINCS |