Chemical Components in the PDB

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F7T : Summary

Code

F7T

One-letter code

X

Molecule name

alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex

Systematic names

Not Assigned

Formula

C15 H15 Cl2 N3 O3 Pt S

Formal charge

2

Molecular weight

583.347 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O
Canonical SMILES CACTVS 3.385 O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O

IUPAC InChI

InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2

IUPAC InChI key

IZMHGJJPSRRFIR-UHFFFAOYSA-L
F7T

wwPDB Information

Atom count

40 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-07

Last modified at

2018-07-20

Status

Released

Obsoleted

Not Assigned