EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26N2O4S2 |
| Net Charge | 0 |
| Average Mass | 434.583 |
| Monoisotopic Mass | 434.13340 |
| SMILES | CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)NC2CCCCC2)c1C |
| InChI | InChI=1S/C21H26N2O4S2/c1-3-27-21(26)17-13(2)18(19(25)22-14-8-5-4-6-9-14)29-20(17)23-16(24)12-15-10-7-11-28-15/h7,10-11,14H,3-6,8-9,12H2,1-2H3,(H,22,25)(H,23,24) |
| InChIKey | HNBFWBDBXIYEGU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:109058) is a aromatic amide (CHEBI:62733) |
| 5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:109058) is a thiophenes (CHEBI:26961) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20456 | LINCS |