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- ChemComp-HM5: 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CAR... -

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Basic information

EntryDatabase: PDB chemical components / ID: HM5
NameName: 3-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide

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Chemical information

Composition
Formula: C14H16N4O2S / Number of atoms: 37 / Formula weight: 304.367 / Formal charge: 0
Others

2nq7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HM5 / Model coordinates PDB-ID: 2NQ7
History
Create componentNov 9, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / PubChem / PubChem_TPharma / 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 10.04O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2
CACTVS 3.341CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2
OpenEye OEToolkits 1.5.0CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2

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SMILES CANONICAL

CACTVS 3.341CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2
OpenEye OEToolkits 1.5.0CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2

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InChI

InChI 1.03InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)

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InChIKey

InChI 1.03CAVCWRXFMNCBCM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide
OpenEye OEToolkits 1.5.03-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

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PDB entries

Showing all 1 items

PDB-2nq7:
Crystal structure of type 1 human methionine aminopeptidase in complex with 3-(2,2-Dimethylpropionylamino)pyridine-2-carboxylic acid thiazole-2-ylamide

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