Chemical Components in the PDB

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0VZ : Summary

Code

0VZ

One-letter code

X

Molecule name

ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
OpenEye OEToolkits 1.7.6 ethyl (2Z,4R)-2-sulfamoylimino-1,3-thiazolidine-4-carboxylate

Formula

C6 H11 N3 O4 S2

Formal charge

0

Molecular weight

253.299 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(/N=C1\SCC(C(=O)OCC)N1)N
SMILES CACTVS 3.370 CCOC(=O)[CH]1CSC(N1)=N[S](N)(=O)=O
SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)C1CSC(=NS(=O)(=O)N)N1
Canonical SMILES CACTVS 3.370 CCOC(=O)[C@@H]1CSC(N1)=N[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1

IUPAC InChI

InChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1

IUPAC InChI key

JQTAIDJUEICDHW-BYPYZUCNSA-N
0VZ

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-07-15

Last modified at

2013-06-28

Status

Released

Obsoleted

Not Assigned