| PDB CCD ID: | FWD |
| Number of entries in BioLiP: | 17 |
| Chemical formula: | C7 H8 F N3 O4 |
| InChI: | InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 |
| InChIKey: | DBWPFHJYSTVBCZ-BYPYZUCNSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)C(N)CN1C=C(F)C(=O)NC1=O | | CACTVS 3.385 | N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F | | CACTVS 3.385 | N[CH](CN1C=C(F)C(=O)NC1=O)C(O)=O | | OpenEye OEToolkits 1.7.6 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)F |
|
| Name: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
FLUORO-WILLARDIINE |
| ChEMBL: | CHEMBL123132 |
| DrugBank: | DB02966 |
| ZINC: | ZINC000002530708 |
umich.edu