Chemical Components in the PDB

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VOK : Summary

Code

VOK

One-letter code

X

Molecule name

5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

Systematic names

ProgramVersionName
ACDLabs 12.01 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
OpenEye OEToolkits 2.0.7 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

Formula

C9 H14 N2 O3

Formal charge

0

Molecular weight

198.219 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NC(=O)N(C)C(=O)C1(CC)CC
SMILES CACTVS 3.385 CCC1(CC)C(=O)NC(=O)N(C)C1=O
SMILES OpenEye OEToolkits 2.0.7 CCC1(C(=O)NC(=O)N(C1=O)C)CC
Canonical SMILES CACTVS 3.385 CCC1(CC)C(=O)NC(=O)N(C)C1=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC1(C(=O)NC(=O)N(C1=O)C)CC

IUPAC InChI

InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)

IUPAC InChI key

FWJKNZONDWOGMI-UHFFFAOYSA-N
VOK

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned