EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H42ClN3O6S |
| Net Charge | 0 |
| Average Mass | 596.190 |
| Monoisotopic Mass | 595.24828 |
| SMILES | C[C@@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1 |
| InChI | InChI=1S/C29H42ClN3O6S/c1-20-17-33(21(2)19-34)29(35)26-16-24(31-40(36,37)25-12-9-23(30)10-13-25)11-14-27(26)39-22(3)8-6-7-15-38-28(20)18-32(4)5/h9-14,16,20-22,28,31,34H,6-8,15,17-19H2,1-5H3/t20-,21+,22+,28+/m0/s1 |
| InChIKey | GOBHPVUGCFRQAG-CLYWQNBRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:123738) is a azamacrocycle (CHEBI:52898) |
| 4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:123738) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-35180 | LINCS |