| PDB CCD ID: | W86 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H18 N2 O6 |
| InChI: | InChI=1S/C17H18N2O6/c1-25-16(23)11-8-6-10(7-9-11)4-2-3-5-12-13(15(21)22)18-17(24)19-14(12)20/h6-9H,2-5H2,1H3,(H,21,22)(H2,18,19,20,24) |
| InChIKey: | PWNZPCSVTUHWKU-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O | | ACDLabs 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc2ccc(C(=O)OC)cc2 | | CACTVS 3.370 | COC(=O)c1ccc(CCCCC2=C(NC(=O)NC2=O)C(O)=O)cc1 |
|
| Name: | 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| ChEMBL: | CHEMBL3991171 |
| ZINC: | ZINC000098209571 |
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