| PDB CCD ID: | NWD |
| Number of entries in BioLiP: | 10 |
| Chemical formula: | C7 H8 N4 O6 |
| InChI: | InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1 |
| InChIKey: | IEBVITXSHAFLJR-VKHMYHEASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O-] | | CACTVS 3.370 | N[C@@H](CN1C=C(C(=O)NC1=O)[N+]([O-])=O)C(O)=O | | OpenEye OEToolkits 1.7.2 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-] | | CACTVS 3.370 | N[CH](CN1C=C(C(=O)NC1=O)[N+]([O-])=O)C(O)=O | | ACDLabs 12.01 | O=C(O)C(N)CN1C=C(C(=O)NC1=O)[N+]([O-])=O |
|
| Name: | 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine;
nitrowillardiine |
| ChEMBL: | CHEMBL121191 |
| ZINC: | ZINC000001702710 |
umich.edu