Chemical Components in the PDB

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V7F : Summary

Code

V7F

One-letter code

X

Molecule name

ruthenium polypyridyl complex (lambda enantiomer)

Systematic names

Not Assigned

Formula

C38 H24 N6 Ru

Formal charge

2

Molecular weight

665.707 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c3ccccc3c4c2[N-][Ru]56([N-]4)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2
Canonical SMILES CACTVS 3.385 [N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c3ccccc3c4c2[N-][Ru]56([N-]4)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2

IUPAC InChI

InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;2*1-8H;/q-2;;;+4

IUPAC InChI key

SKXAWXSJDKGLCH-UHFFFAOYSA-N
V7F

wwPDB Information

Atom count

69 (45 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-23

Last modified at

2024-03-01

Status

Released

Obsoleted

Not Assigned