Chemical Components in the PDB

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PT2 : Summary

Code

PT2

One-letter code

X

Molecule name

[ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)

Systematic names

ProgramVersionName
ACDLabs 10.04 [ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)

Formula

C14 H14 N4 Pt

Formal charge

2

Molecular weight

433.366 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCCN5
SMILES CACTVS 3.341 C1CN[Pt]2(N1)[n+]3cccc4ccc5ccc[n+]2c5c34
SMILES OpenEye OEToolkits 1.5.0 c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5
Canonical SMILES CACTVS 3.341 C1CN[Pt]2(N1)[n+]3cccc4ccc5ccc[n+]2c5c34
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5

IUPAC InChI

InChI=1S/C12H8N2.C2H6N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-2-4;/h1-8H;3-4H,1-2H2;/q;-2;+4

IUPAC InChI key

ZHOUVMJPJJXSDV-UHFFFAOYSA-N
PT2

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned