L2M

{(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+)

Created: 2012-03-26
Last modified:  2012-03-26

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Chemical Details

Formal Charge2
Atom Count55
Chiral Atom Count2
Bond Count61
Aromatic Bond Count12
2D diagram of L2M
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Chemical Component Summary

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+)
Systematic Name (OpenEye OEToolkits)n/a
FormulaC21 H27 Fe N4 O2
Molecular Weight423.31
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C2O[Fe+2]576n1ccccc1CN7(C2)C3CCCCC3N6(C)Cc4ccccn45
SMILESCACTVS3.370CN12|[Fe++]|3|4(OC(=O)CN|3(Cc5ccccn|45)[CH]6CCCC[CH]16)|n7ccccc7C2
SMILESOpenEye OEToolkits1.7.6C[N]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N]4(CC(=O)O5)C7C2CCCC7
Canonical SMILESCACTVS3.370 CN12|[Fe++]|3|4(OC(=O)CN|3(Cc5ccccn|45)[C@H]6CCCC[C@H]16)|n7ccccc7C2
Canonical SMILESOpenEye OEToolkits1.7.6 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
InChIInChI1.03 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
InChIKeyInChI1.03 QCJUYONJTMUVGL-FKLPMGAJSA-M