EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H31N3O5S |
| Net Charge | 0 |
| Average Mass | 413.540 |
| Monoisotopic Mass | 413.19844 |
| SMILES | CO[C@H]1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OC[C@@H](C)N(C)C[C@H]1C |
| InChI | InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-9-15(20-28(6,24)25)7-8-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18+/m1/s1 |
| InChIKey | FTRBQWVEVPNQIS-LBTNJELSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (CHEBI:106524) is a azamacrocycle (CHEBI:52898) |
| N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (CHEBI:106524) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17882 | LINCS |