EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H36N4O6S |
| Net Charge | 0 |
| Average Mass | 568.696 |
| Monoisotopic Mass | 568.23556 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C29H36N4O6S/c1-19-16-33(20(2)18-34)28(35)15-22-14-23(31-40(4,37)38)12-13-26(22)39-27(19)17-32(3)29(36)30-25-11-7-9-21-8-5-6-10-24(21)25/h5-14,19-20,27,31,34H,15-18H2,1-4H3,(H,30,36)/t19-,20-,27+/m1/s1 |
| InChIKey | PFQWGWQENUDDJX-DVHCVUMVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:129261) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40812 | LINCS |