Chemical Components in the PDB

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EEK : Summary

Code

EEK

One-letter code

X

Molecule name

~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide

Formula

C9 H8 Cl2 N2 O3

Formal charge

0

Molecular weight

263.077 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl
Canonical SMILES CACTVS 3.385 ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl

IUPAC InChI

InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)

IUPAC InChI key

ZGACHNBRFOETSO-UHFFFAOYSA-N
EEK

wwPDB Information

Atom count

24 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-15

Last modified at

2018-08-31

Status

Released

Obsoleted

Not Assigned