Chemical Components in the PDB

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JTY : Summary

Code

JTY

One-letter code

X

Molecule name

5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid

Formula

C10 H8 N2 O4 S2

Formal charge

0

Molecular weight

284.312 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1ncsc1N[S](=O)(=O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ncsc1N[S](=O)(=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O

IUPAC InChI

InChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)

IUPAC InChI key

XOXXLROXAKZQOM-UHFFFAOYSA-N
JTY

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-24

Last modified at

2018-03-09

Status

Released

Obsoleted

Not Assigned