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- ChemComp-S5G: (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione -

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Basic information

EntryDatabase: PDB chemical components / ID: S5G
NameName: (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione

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Chemical information

Composition
Formula: C6H12N2OS2 / Number of atoms: 23 / Formula weight: 192.302 / Formal charge: 0
Others

5raf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S5G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RAF
History
Create componentMar 4, 2020
Modify model coordinates codeMar 6, 2020
Initial releaseApr 22, 2020
External linksUniChem / ChemSpider / PubChem / ZINC / 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 3.385CN1C(=S)S[CH](NO)C1(C)C
OpenEye OEToolkits 2.0.6CC1(C(SC(=S)N1C)NO)C

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SMILES CANONICAL

CACTVS 3.385CN1C(=S)S[C@@H](NO)C1(C)C
OpenEye OEToolkits 2.0.6CC1([C@@H](SC(=S)N1C)NO)C

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InChI

InChI 1.03InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1

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InChIKey

InChI 1.03JXYKLMIZMNTBPT-SCSAIBSYSA-N

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PDB entries

Showing all 1 items

PDB-5raf:
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001559a

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