Chemical Components in the PDB

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Q85 : Summary

Code

Q85

One-letter code

X

Molecule name

~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide

Formula

C15 H15 N O2 Se

Formal charge

0

Molecular weight

320.245 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(CNC(=O)c2ccccc2[SeH])cc1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]
Canonical SMILES CACTVS 3.385 COc1ccc(CNC(=O)c2ccccc2[SeH])cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]

IUPAC InChI

InChI=1S/C15H15NO2Se/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H,16,17)

IUPAC InChI key

YYKTWDKCQYEMIR-UHFFFAOYSA-N
Q85

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-26

Last modified at

2020-09-11

Status

Released

Obsoleted

Not Assigned