B1R

[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium


Toggle HydrogenToggle Labels

Chemical Component Summary

Name[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
Synonymsbiotinylruthenocene
Identifiersn/a
FormulaC20 H16 N2 O2 Ru S
Molecular Weight449.488
TypeNON-POLYMER
Isomeric SMILESC1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2
InChIInChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14;1-2-4-5-3-1;/h11,13-14H,3-4,7-9H2,(H2,16,17,19);1H;/t11-,13-,14-;;/m0../s1
InChIKeyAKXPPZSWSDFJHM-SLGHVJFOSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count3
Bond Count53
Aromatic Bond Count0