Chemical Components in the PDB

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0JC : Summary

Code

0JC

One-letter code

X

Molecule name

Di-mu-iodobis(ethylenediamine)diplatinum(II)

Systematic names

ProgramVersionName
ACDLabs 12.01 bis(ethane-1,2-diamine-kappa~2~N~1~,N~2~)(di-mu-iodo)diplatinum(2+)
OpenEye OEToolkits 1.7.6 6$l^{2},12$l^{2}-diioda-1$l^{4},4$l^{4},8$l^{4},11$l^{4}-tetraza-5$l^{4},7$l^{4}-diplatinadispiro[4.1.4^{7}.1^{5}]dodecane

Formula

C4 H16 I2 N4 Pt2

Formal charge

2

Molecular weight

764.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [Pt+]12(NCCN1)I[Pt+]3(I2)NCCN3
SMILES CACTVS 3.385 [Pt+]|1|2(|NCCN|1)|I[Pt+]|3(|NCCN|3)I|2
SMILES OpenEye OEToolkits 1.7.6 C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3
Canonical SMILES CACTVS 3.385 [Pt+]|1|2(|NCCN|1)|I[Pt+]|3(|NCCN|3)I|2
Canonical SMILES OpenEye OEToolkits 1.7.6 C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3

IUPAC InChI

InChI=1S/2C2H8N2.2HI.2Pt/c2*3-1-2-4;;;;/h2*1-4H2;2*1H;;/q;;;;2*+1

IUPAC InChI key

XXLKNYJQAYMQHB-UHFFFAOYSA-N
0JC

wwPDB Information

Atom count

28 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-22

Last modified at

2015-02-26

Status

Released

Obsoleted

Not Assigned