Chemical Component Summary

Name[CuII(biot-pr-dpea)]2+
FormulaC27 H38 Cu N6 O2 S
Molecular Weight574.241
TypeNON-POLYMER
Isomeric SMILESC1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
InChIInChI=1S/C27H38N6O2S.Cu/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22;/h3-6,8-9,14-15,23-24,26H,1-2,7,10-13,16-20H2,(H,30,34)(H2,31,32,35);/t23-,24-,26-;/m0./s1
InChIKeyNPWCVTSEWPDIKA-PEOCGFDUSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count3
Bond Count80
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137350000