| PDB CCD ID: | BWD |
| Number of entries in BioLiP: | 7 |
| Chemical formula: | C7 H8 Br N3 O4 |
| InChI: | InChI=1S/C7H8BrN3O4/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: | AEKIJKSVXKWGRJ-BYPYZUCNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[CH](CN1C=C(Br)C(=O)NC1=O)C(O)=O | | CACTVS 3.341 | N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Br | | OpenEye OEToolkits 1.5.0 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br | | ACDLabs 10.04 | O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O |
|
| Name: | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
BROMO-WILLARDIINE |
| ChEMBL: | CHEMBL333964 |
| DrugBank: | DB04000 |
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