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- ChemComp-QL0: 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: QL0
NameName: 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

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Chemical information

Composition
Formula: C11H13NO2S / Number of atoms: 28 / Formula weight: 223.291 / Formal charge: 0
Others

8bjg

Type: non-polymer / PDB classification: HETAIN / Three letter code: QL0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BJG
History
Create componentNov 8, 2022
Initial releaseMar 29, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CN(CCS)C(=O)c1cccc(C=O)c1
OpenEye OEToolkits 3.1.0.0CN(CCS)C(=O)c1cccc(c1)C=O

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SMILES CANONICAL

CACTVS 3.385CN(CCS)C(=O)c1cccc(C=O)c1
OpenEye OEToolkits 3.1.0.0CN(CCS)C(=O)c1cccc(c1)C=O

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InChI

InChI 1.06InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3

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InChIKey

InChI 1.06SKJMEJHMSSKOTJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8bjg:
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8

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