EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H35FN4O6S |
| Net Charge | 0 |
| Average Mass | 598.697 |
| Monoisotopic Mass | 598.22613 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@@H]1C |
| InChI | InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21+,28+/m0/s1 |
| InChIKey | XXZJPGUPXRETOH-BALWLHIASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide (CHEBI:101669) is a azamacrocycle (CHEBI:52898) |
| 3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide (CHEBI:101669) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13032 | LINCS |