Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

T86 : Summary

Code

T86

One-letter code

X

Molecule name

3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide

Formula

C15 H12 Cl2 N2 O4

Formal charge

0

Molecular weight

355.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)NO
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO
Canonical SMILES CACTVS 3.385 COc1ccc(cc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)NO
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO

IUPAC InChI

InChI=1S/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)19-22)6-12(13)18-15(21)10-4-3-9(16)7-11(10)17/h2-7,22H,1H3,(H,18,21)(H,19,20)

IUPAC InChI key

DSWXYOCCSDFQSQ-UHFFFAOYSA-N
T86

wwPDB Information

Atom count

35 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-08

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned