Chemical Components in the PDB

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EON : Summary

Code

EON

One-letter code

X

Molecule name

1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

Formula

C14 H15 N3 O5 S

Formal charge

0

Molecular weight

337.351 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.6 COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N

IUPAC InChI

InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)

IUPAC InChI key

TYTZFKRSGVNIDM-UHFFFAOYSA-N
EON

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-05

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned