Chemical Components in the PDB

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ELH : Summary

Code

ELH

One-letter code

X

Molecule name

2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid

Formula

C14 H9 N O2 S

Formal charge

0

Molecular weight

255.292 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1csc(n1)c2cccc3ccccc23
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1csc(n1)c2cccc3ccccc23
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O

IUPAC InChI

InChI=1S/C14H9NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17)

IUPAC InChI key

AQRUWPVKXHZCKR-UHFFFAOYSA-N
ELH

wwPDB Information

Atom count

27 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-26

Last modified at

2018-09-21

Status

Released

Obsoleted

Not Assigned