EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H31F3N4O5S2 |
| Net Charge | 0 |
| Average Mass | 564.652 |
| Monoisotopic Mass | 564.16880 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C |
| InChI | InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16-,20-/m1/s1 |
| InChIKey | CQZVRHUHRGDROH-JXXFODFXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,2,2-trifluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:98363) is a azamacrocycle (CHEBI:52898) |
| 2,2,2-trifluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:98363) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9742 | LINCS |