| PDB CCD ID: | W85 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H14 N2 O6 |
| InChI: | InChI=1S/C15H14N2O6/c1-23-14(21)9-4-2-3-8(7-9)5-6-10-11(13(19)20)16-15(22)17-12(10)18/h2-4,7H,5-6H2,1H3,(H,19,20)(H2,16,17,18,22) |
| InChIKey: | RTLRPYDATNEMNB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COC(=O)c1cccc(CCC2=C(NC(=O)NC2=O)C(O)=O)c1 | | OpenEye OEToolkits 1.7.6 | COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O | | ACDLabs 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(C(=O)OC)c2 |
|
| Name: | 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| ChEMBL: | CHEMBL3990251 |
| ZINC: | ZINC000098209570 |
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