EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:112710 - 2-[[(3-methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester
| Formula | C18H22N2O4S |
| Net Charge | 0 |
| Average Mass | 362.451 |
| Monoisotopic Mass | 362.13003 |
| SMILES | CCOC(=O)CN(Cc1sccc1C)C(=O)Nc1cccc(OC)c1 |
| InChI | InChI=1S/C18H22N2O4S/c1-4-24-17(21)12-20(11-16-13(2)8-9-25-16)18(22)19-14-6-5-7-15(10-14)23-3/h5-10H,4,11-12H2,1-3H3,(H,19,22) |
| InChIKey | GHYGOOADYJZDTK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[(3-methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester (CHEBI:112710) is a α-amino acid ester (CHEBI:46874) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24120 | LINCS |