Chemical Components in the PDB

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BWZ : Summary

Code

BWZ

One-letter code

X

Molecule name

[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

Formula

C8 H9 N6 O

Formal charge

1

Molecular weight

205.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2
Canonical SMILES CACTVS 3.385 [NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2

IUPAC InChI

InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1

IUPAC InChI key

TVSYEZIXGSKLBM-UHFFFAOYSA-O
BWZ

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-27

Last modified at

2019-02-15

Status

Released

Obsoleted

Not Assigned