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

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Basic information

EntryDatabase: PDB chemical components / ID: YXZ
NameName: chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium

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Chemical information

Composition
Formula: C15H20ClN4Ru / Number of atoms: 41 / Formula weight: 392.869 / Formal charge: 0
Others

4kp9
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YXZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4KP9
History
Create componentMay 24, 2013
Initial releaseJun 25, 2014
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.370NCCCCCN1c2ccccn2|[Ru](Cl)|n3ccccc13
OpenEye OEToolkits 1.7.6C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03IIQHAXSUPAXJMA-UHFFFAOYSA-M

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PDB entries

Showing all 1 items

PDB-6h8t:
Crystal structure of Papain modify by achiral Ru(II)complex

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