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- ChemComp-OHL: N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmeth... -

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Basic information

EntryDatabase: PDB chemical components / ID: OHL
NameName: N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide
Synonyms: N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide

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Chemical information

Composition
Formula: C15H17N3O5S / Number of atoms: 41 / Formula weight: 351.378 / Formal charge: 0
Others

3ohl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OHL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3OHL
History
Create componentAug 20, 2010
Other modificationJun 22, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / 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 12.01O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2
CACTVS 3.370COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2
OpenEye OEToolkits 1.7.2COc1ccc(cc1)S(=O)(=O)N(Cc2ccncc2)CC(=O)NO

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SMILES CANONICAL

CACTVS 3.370COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2
OpenEye OEToolkits 1.7.2COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO

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InChI

InChI 1.03InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19)

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InChIKey

InChI 1.03BWTYNJYIHZVAOW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide
OpenEye OEToolkits 1.7.22-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-N-oxidanyl-ethanamide

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PDB entries

Showing all 1 items

PDB-3ohl:
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide

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