EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25N3O4S |
| Net Charge | 0 |
| Average Mass | 415.515 |
| Monoisotopic Mass | 415.15658 |
| SMILES | CCOC(=O)c1c(NC(=O)CNC2CCCc3ccccc32)sc(C(N)=O)c1C |
| InChI | InChI=1S/C21H25N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,23H,3,6,8,10-11H2,1-2H3,(H2,22,26)(H,24,25) |
| InChIKey | UPSNFRPKQDUYOE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:108977) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20375 | LINCS |