| PDB CCD ID: | 6WF |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H18 Fe N3 O S |
| InChI: | InChI=1S/C17H19N3OS.Fe/c21-16-9-8-13-6-2-3-7-14(13)15(16)12-18-19-17(22)20-10-4-1-5-11-20;/h2-3,6-9,12,21H,1,4-5,10-11H2,(H,19,22);/q;+1/p-1/b18-12+; |
| InChIKey: | XLACDVBHSFVMPE-XMMWENQYSA-M |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5 | | CACTVS 3.385 | C1CCN(CC1)C2=[S-][Fe]3Oc4ccc5ccccc5c4C=[N+]3N2 |
|
| Name: | 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene |
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