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- ChemComp-H11: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one -

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Basic information

EntryDatabase: PDB chemical components / ID: H11
NameName: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one

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Chemical information

Composition
Formula: C15H26N2OS / Number of atoms: 45 / Formula weight: 282.445 / Formal charge: 0
Others

3byz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H11 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3BYZ
History
Create componentJan 27, 2008
Modify descriptorJun 4, 2011
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

ACDLabs 10.04O=C1N=C(SC1(CCC)C)NC2CCCCCCC2
CACTVS 3.341CCC[C]1(C)SC(=NC1=O)NC2CCCCCCC2
OpenEye OEToolkits 1.5.0CCCC1(C(=O)N=C(S1)NC2CCCCCCC2)C

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SMILES CANONICAL

CACTVS 3.341CCC[C@]1(C)SC(=NC1=O)NC2CCCCCCC2
OpenEye OEToolkits 1.5.0CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C

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InChI

InChI 1.03InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1

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InChIKey

InChI 1.03SBTHYUAUBLEDJY-HNNXBMFYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
OpenEye OEToolkits 1.5.0(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4-one

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PDB entries

Showing all 1 items

PDB-3byz:
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors

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