Chemical Components in the PDB

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LWZ : Summary

Code

LWZ

One-letter code

X

Molecule name

3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide

Formula

C6 H10 N4 O S2

Formal charge

0

Molecular weight

218.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 SC(S)CC(=O)NCc1c[nH]nn1
SMILES OpenEye OEToolkits 2.0.7 c1c(nn[nH]1)CNC(=O)CC(S)S
Canonical SMILES CACTVS 3.385 SC(S)CC(=O)NCc1c[nH]nn1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(nn[nH]1)CNC(=O)CC(S)S

IUPAC InChI

InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)

IUPAC InChI key

AIOYUZNWKHEZES-UHFFFAOYSA-N
LWZ

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-25

Last modified at

2020-07-31

Status

Released

Obsoleted

Not Assigned