Chemical Components in the PDB

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5ZU : Summary

Code

5ZU

One-letter code

X

Molecule name

2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid

Formula

C9 H8 N2 O2 S2

Formal charge

0

Molecular weight

240.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1sc(Cc2sccc2)c(n1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1cc(sc1)Cc2c(nc(s2)N)C(=O)O
Canonical SMILES CACTVS 3.385 Nc1sc(Cc2sccc2)c(n1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(sc1)Cc2c(nc(s2)N)C(=O)O

IUPAC InChI

InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13)

IUPAC InChI key

KALMSBPPQREWFB-UHFFFAOYSA-N
5ZU

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-10

Last modified at

2023-10-27

Status

Released

Obsoleted

Not Assigned