Chemical Components in the PDB

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CPT : Summary

Code

CPT

One-letter code

X

Molecule name

Cisplatin

Synonyms

diammine(dichloro)platinum

Systematic names

ProgramVersionName
ACDLabs 12.01 diammine(dichloro)platinum
OpenEye OEToolkits 1.7.6 bis(chloranyl)-bis($l^{4}-azanyl)platinum

Formula

Cl2 H6 N2 Pt

Formal charge

0

Molecular weight

300.045 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [Pt](N)(N)(Cl)Cl
SMILES CACTVS 3.385 N|[Pt](|N)(Cl)Cl
SMILES OpenEye OEToolkits 1.7.6 [NH3][Pt]([NH3])(Cl)Cl
Canonical SMILES CACTVS 3.385 N|[Pt](|N)(Cl)Cl
Canonical SMILES OpenEye OEToolkits 1.7.6 [NH3][Pt]([NH3])(Cl)Cl

IUPAC InChI

InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2

IUPAC InChI key

LXZZYRPGZAFOLE-UHFFFAOYSA-L
CPT

wwPDB Information

Atom count

11 (5 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

2015-07-08

Status

Released

Obsoleted

Not Assigned