EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H45N3O6S |
| Net Charge | 0 |
| Average Mass | 575.772 |
| Monoisotopic Mass | 575.30291 |
| SMILES | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)O3)cc1 |
| InChI | InChI=1S/C30H45N3O6S/c1-21-10-13-26(14-11-21)40(36,37)31-25-12-15-28-27(17-25)30(35)33(23(3)20-34)18-22(2)29(19-32(5)6)38-16-8-7-9-24(4)39-28/h10-15,17,22-24,29,31,34H,7-9,16,18-20H2,1-6H3/t22-,23+,24+,29-/m0/s1 |
| InChIKey | PRCUBQSECBZBSK-SEAFADMZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,9R,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]-4-methylbenzenesulfonamide (CHEBI:110899) is a azamacrocycle (CHEBI:52898) |
| N-[(3R,9R,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]-4-methylbenzenesulfonamide (CHEBI:110899) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22343 | LINCS |