Chemical Components in the PDB

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5ZR : Summary

Code

5ZR

One-letter code

X

Molecule name

2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid

Formula

C11 H18 N2 O2 S

Formal charge

0

Molecular weight

242.338 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCc1sc(N)nc1C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCc1c(nc(s1)N)C(=O)O
Canonical SMILES CACTVS 3.385 CCCCCCCc1sc(N)nc1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCc1c(nc(s1)N)C(=O)O

IUPAC InChI

InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)

IUPAC InChI key

REOSVLTUJCDFJX-UHFFFAOYSA-N
5ZR

wwPDB Information

Atom count

34 (16 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