| PDB CCD ID: | L2M |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H27 Fe N4 O2 |
| InChI: | InChI=1S/C21H28N4O2.Fe/c1-24(14-17-8-4-6-12-22-17)19-10-2-3-11-20(19)25(16-21(26)27)15-18-9-5-7-13-23-18;/h4-9,12-13,19-20H,2-3,10-11,14-16H2,1H3,(H,26,27);/q;+3/p-1/t19-,20-;/m0./s1 |
| InChIKey: | QCJUYONJTMUVGL-FKLPMGAJSA-M |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C[N]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N]4(CC(=O)O5)C7C2CCCC7 | | CACTVS 3.370 | CN12|[Fe++]|3|4(OC(=O)CN|3(Cc5ccccn|45)[CH]6CCCC[CH]16)|n7ccccc7C2 | | OpenEye OEToolkits 1.7.6 | C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7 | | CACTVS 3.370 | CN12|[Fe++]|3|4(OC(=O)CN|3(Cc5ccccn|45)[C@H]6CCCC[C@H]16)|n7ccccc7C2 | | ACDLabs 12.01 | O=C2O[Fe+2]576n1ccccc1CN7(C2)C3CCCCC3N6(C)Cc4ccccn45 |
|
| Name: | {(R)-N-[(1S,2S)-2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}cyclohexyl]-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) |
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