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- ChemComp-T6N: 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: T6N
NameName: 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide

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Chemical information

Composition
Formula: C13H19NO2S / Number of atoms: 36 / Formula weight: 253.36 / Formal charge: 0
Others

7ba9

Type: non-polymer / PDB classification: HETAIN / Three letter code: T6N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BA9
History
Create componentDec 15, 2020
Initial releaseJul 7, 2021
External linksUniChem / ChemSpider / PubChem / 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 3.385Cc1ccc(OC(C)(C)C(=O)NCCS)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)OC(C)(C)C(=O)NCCS

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(OC(C)(C)C(=O)NCCS)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)OC(C)(C)C(=O)NCCS

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InChI

InChI 1.03InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15)

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InChIKey

InChI 1.03QMHUJMFZVOXMEY-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7ba9:
Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI

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