| PDB CCD ID: | CWD |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C7 H8 Cl N3 O4 |
| InChI: | InChI=1S/C7H8ClN3O4/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: | HEHLSRRDKJVHOM-BYPYZUCNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl | | CACTVS 3.370 | N[C@@H](CN1C=C(Cl)C(=O)NC1=O)C(O)=O | | ACDLabs 12.01 | O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O | | OpenEye OEToolkits 1.7.2 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Cl | | CACTVS 3.370 | N[CH](CN1C=C(Cl)C(=O)NC1=O)C(O)=O |
|
| Name: | 3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine;
chlorowillardiine |
| ChEMBL: | CHEMBL121388 |
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