Chemical Components in the PDB

pdbe.org/chem
spacer

0VY : Summary

Code

0VY

One-letter code

X

Molecule name

N'-sulfamoylpyrrolidine-1-carboximidamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N'-sulfamoylpyrrolidine-1-carboximidamide
OpenEye OEToolkits 1.7.6 N'-sulfamoylpyrrolidine-1-carboximidamide

Formula

C5 H12 N4 O2 S

Formal charge

0

Molecular weight

192.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(/N=C(\N)N1CCCC1)N
SMILES CACTVS 3.370 NC(=N[S](N)(=O)=O)N1CCCC1
SMILES OpenEye OEToolkits 1.7.6 C1CCN(C1)C(=NS(=O)(=O)N)N
Canonical SMILES CACTVS 3.370 NC(=N[S](N)(=O)=O)N1CCCC1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CCN(C1)/C(=N/S(=O)(=O)N)/N

IUPAC InChI

InChI=1S/C5H12N4O2S/c6-5(8-12(7,10)11)9-3-1-2-4-9/h1-4H2,(H2,6,8)(H2,7,10,11)

IUPAC InChI key

RHOZLXBMABFVBY-UHFFFAOYSA-N
0VY

wwPDB Information

Atom count

24 (12 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

2013-07-12

Status

Released

Obsoleted

Not Assigned