SI7

[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper



Chemical Component Summary

Name[N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
Identifiersn/a
FormulaC26 H36 Cu N6 O3 S
Molecular Weight576.213
TypeNON-POLYMER
Isomeric SMILESC1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
InChIInChI=1S/C26H36N6O2S.Cu.H2O/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21;;/h3-8,13-14,22-23,25H,1-2,9-12,15-19H2,(H,29,33)(H2,30,31,34);;1H2/q;+1;/p-1/t22-,23-,25-;;/m0../s1
InChIKeyVJQJBNZBGSOUKA-HRKQCRCBSA-M

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count3
Bond Count78
Aromatic Bond Count12