Chemical Components in the PDB

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T61 : Summary

Code

T61

One-letter code

X

Molecule name

3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide

Formula

C14 H11 Cl N2 O3

Formal charge

0

Molecular weight

290.702 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO

IUPAC InChI

InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)

IUPAC InChI key

BBBOKCZDRCMPOZ-UHFFFAOYSA-N
T61

wwPDB Information

Atom count

31 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-04

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned