| PDB CCD ID: | JDM |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C14 H14 N2 O5 |
| InChI: | InChI=1S/C14H14N2O5/c17-7-9-4-2-1-3-8(9)5-6-10-11(13(19)20)15-14(21)16-12(10)18/h1-4,17H,5-7H2,(H,19,20)(H2,15,16,18,21) |
| InChIKey: | MDVINTUDORARNK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO | | CACTVS 3.370 | OCc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O | | ACDLabs 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2CO |
|
| Name: | 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| ChEMBL: | CHEMBL3990421 |
| ZINC: | ZINC000098209041 |
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