Chemical Components in the PDB

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T34 : Summary

Code

T34

One-letter code

X

Molecule name

4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide

Formula

C15 H16 N2 O2

Formal charge

0

Molecular weight

256.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(cc1NCc2ccccc2)C(=O)NO
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1NCc2ccccc2)C(=O)NO
Canonical SMILES CACTVS 3.385 Cc1ccc(cc1NCc2ccccc2)C(=O)NO
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1NCc2ccccc2)C(=O)NO

IUPAC InChI

InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)

IUPAC InChI key

PZBARTUEWCQNSN-UHFFFAOYSA-N
T34

wwPDB Information

Atom count

35 (19 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