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- ChemComp-GCZ: N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-me... -

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Basic information

EntryDatabase: PDB chemical components / ID: GCZ
NameName: N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide
Synonyms: gliclazide
Commentmedication*YM

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Chemical information

Composition
Formula: C15H21N3O3S / Number of atoms: 43 / Formula weight: 323.411 / Formal charge: 0
Others

4zfc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GCZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZFC
History
Create componentApr 30, 2015
Initial releaseNov 25, 2015
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 12.01O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[CH]3CCC[CH]3C2
OpenEye OEToolkits 1.9.2Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2
OpenEye OEToolkits 1.9.2Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2

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InChI

InChI 1.03InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+

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InChIKey

InChI 1.03BOVGTQGAOIONJV-BETUJISGSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide
OpenEye OEToolkits 1.9.21-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(4-methylphenyl)sulfonyl-urea

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PDB entries

Showing all 1 items

PDB-4zfc:
Crystal structure of AKR1C3 complexed with glicazide

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