EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H35N3O6S |
| Net Charge | 0 |
| Average Mass | 505.637 |
| Monoisotopic Mass | 505.22466 |
| SMILES | COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(cccc3N(C)C)C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 |
| InChI | InChI=1S/C25H35N3O6S/c1-17-14-28(18(2)16-29)25(30)21-8-7-9-22(26(3)4)24(21)34-23(17)15-27(5)35(31,32)20-12-10-19(33-6)11-13-20/h7-13,17-18,23,29H,14-16H2,1-6H3/t17-,18+,23-/m1/s1 |
| InChIKey | OMQHFJKBCUHLTI-IEGUWTFLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:128157) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39712 | LINCS |