EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H34F3N3O5S |
| Net Charge | 0 |
| Average Mass | 605.679 |
| Monoisotopic Mass | 605.21713 |
| SMILES | CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C |
| InChI | InChI=1S/C30H34F3N3O5S/c1-19-15-36(16-21-12-23(32)8-10-27(21)33)20(2)18-41-28-11-9-24(14-26(28)30(37)35(3)17-29(19)40-4)34-42(38,39)25-7-5-6-22(31)13-25/h5-14,19-20,29,34H,15-18H2,1-4H3/t19-,20+,29+/m1/s1 |
| InChIKey | DXCXCRUBZQZACJ-IKDMDFKBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4S,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-fluorobenzenesulfonamide (CHEBI:110559) is a azamacrocycle (CHEBI:52898) |
| N-[(4S,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-fluorobenzenesulfonamide (CHEBI:110559) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22004 | LINCS |