Chemical Components in the PDB

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A72 : Summary

Code

A72

One-letter code

X

Molecule name

TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEX

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 bis(hexyl-$l^{4}-azanyl)-bis($l^{4}-azanyl)platinum

Formula

C12 H36 N4 Pt

Formal charge

0

Molecular weight

431.519 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N.N.[Pt].CCCCCCN.CCCCCCN
SMILES OpenEye OEToolkits 2.0.7 CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC
Canonical SMILES CACTVS 3.385 N.N.[Pt].CCCCCCN.CCCCCCN
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC

IUPAC InChI

InChI=1S/2C6H15N.2H3N.Pt/c2*1-2-3-4-5-6-7;;;/h2*2-7H2,1H3;2*1H3;

IUPAC InChI key

NUTMYZMYJGWOSL-UHFFFAOYSA-N
A72

wwPDB Information

Atom count

53 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-10

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned