Chemical Components in the PDB

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VGS : Summary

Code

VGS

One-letter code

X

Molecule name

2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
OpenEye OEToolkits 2.0.7 2,2-dimethyl-~{N}-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

Formula

C7 H12 N4 O3 S2

Formal charge

0

Molecular weight

264.325 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C
SMILES CACTVS 3.385 CC(C)(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CC(C)(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)

IUPAC InChI key

FNKGYWFCFILCJW-UHFFFAOYSA-N
VGS

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-10

Last modified at

2020-10-30

Status

Released

Obsoleted

Not Assigned