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- ChemComp-HM4: TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE -

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Basic information

EntryDatabase: PDB chemical components / ID: HM4
NameName: tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate

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Chemical information

Composition
Formula: C14H16N4O3S / Number of atoms: 38 / Formula weight: 320.367 / Formal charge: 0
Others

2nq6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HM4 / Model coordinates PDB-ID: 2NQ6
History
Create componentNov 9, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / 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)OC(C)(C)C)Nc2nccs2
CACTVS 3.341CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2sccn2
OpenEye OEToolkits 1.5.0CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)

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InChIKey

InChI 1.03QBMYJIFXSXKPFS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tert-butyl [2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate
OpenEye OEToolkits 1.5.0tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate

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PDB entries

Showing all 1 items

PDB-2nq6:
Crystal structure of human methionine aminopeptidase type 1 in complex with 3-tert-Butoxycarbonylaminopyridine-2-carboxylic acid thiazole-2-ylamide

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