Chemical Components in the PDB

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YXZ : Summary

Code

YXZ

One-letter code

X

Molecule name

chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium

Systematic names

ProgramVersionName
ACDLabs 12.01 chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium

Formula

C15 H20 Cl N4 Ru

Formal charge

0

Molecular weight

392.869 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cl[Ru]3n1ccccc1N(c2n3cccc2)CCCCCN
SMILES CACTVS 3.370 NCCCCCN1c2ccccn2|[Ru](Cl)|n3ccccc13
SMILES OpenEye OEToolkits 1.7.6 C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN
Canonical SMILES CACTVS 3.370 NCCCCCN1c2ccccn2|[Ru](Cl)|n3ccccc13
Canonical SMILES OpenEye OEToolkits 1.7.6 C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN

IUPAC InChI

InChI=1S/C15H20N4.ClH.Ru/c16-10-4-1-7-13-19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;;/h2-3,5-6,8-9,11-12H,1,4,7,10,13,16H2;1H;/q;;+1/p-1

IUPAC InChI key

IIQHAXSUPAXJMA-UHFFFAOYSA-M
YXZ

wwPDB Information

Atom count

41 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-24

Last modified at

2014-06-20

Status

Released

Obsoleted

Not Assigned