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- ChemComp-MTN: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]... -

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Basic information

EntryDatabase: PDB chemical components / ID: MTN
NameName: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Synonyms: MTSL

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Chemical information

Composition
Formula: C10H18NO3S2 / Number of atoms: 34 / Formula weight: 264.385 / Formal charge: 0
Others

1rf8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MTN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1RF8
History
Create componentDec 10, 2003
Other modificationMay 10, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / DrugBank / PubChem / SureChEMBL / 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

ACDLabs 12.01ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
CACTVS 3.370CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O]
OpenEye OEToolkits 1.7.2CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C

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SMILES CANONICAL

CACTVS 3.370CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O]
OpenEye OEToolkits 1.7.2CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C

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InChI

InChI 1.03InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3

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InChIKey

InChI 1.03MXZPGYFBZHBAQM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
OpenEye OEToolkits 1.7.21-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole

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