| PDB CCD ID: | LKE |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C13 H12 N6 O3 |
| InChI: | InChI=1S/C13H12N6O3/c14-6-11-16-10(13(22)19(11)7-12(20)21)5-8-1-3-9(4-2-8)17-18-15/h1-5H,6-7,14H2,(H,20,21)/b10-5- |
| InChIKey: | LLZZHPRLBAOKOQ-YHYXMXQVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] | | CACTVS 3.385 | NCC1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O | | CACTVS 3.385 | NCC1=N\C(=C/c2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O |
|
| Name: | 2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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