| PDB CCD ID: | HWD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H9 N3 O4 |
| InChI: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 |
| InChIKey: | FACUYWPMDKTVFU-BYPYZUCNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[CH](CN1C=CC(=O)NC1=O)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N | | ACDLabs 10.04 | O=C(O)C(N)CN1C=CC(=O)NC1=O | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)NC1=O)CC(C(=O)O)N | | CACTVS 3.341 | N[C@@H](CN1C=CC(=O)NC1=O)C(O)=O |
|
| Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
WILLARDIINE |
| ChEMBL: | CHEMBL122005 |
| ZINC: | ZINC000000901774 |
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