Chemical Components in the PDB

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TPT : Summary

Code

TPT

One-letter code

X

Molecule name

2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride

Systematic names

ProgramVersionName
ACDLabs 12.01 chloro(2,2':6',2''-terpyridine-kappa~3~N~1~,N~1'~,N~1''~)platinum(1+)

Formula

C15 H11 Cl N3 Pt

Formal charge

1

Molecular weight

463.799 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cl[Pt+]35n1ccccc1c4cccc(c2ccccn23)n45
SMILES CACTVS 3.370 Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25
SMILES OpenEye OEToolkits 1.7.2 C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl
Canonical SMILES CACTVS 3.370 Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25
Canonical SMILES OpenEye OEToolkits 1.7.2 C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl

IUPAC InChI

InChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h1-11H;1H;/q;;+2/p-1

IUPAC InChI key

XTQMQLRZXBEQCS-UHFFFAOYSA-M
TPT

wwPDB Information

Atom count

31 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-10-07

Last modified at

2011-09-23

Status

Released

Obsoleted

Not Assigned