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- ChemComp-SZN: N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: SZN
NameName: N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
Synonyms: ~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide

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Chemical information

Composition
Formula: C14H16N2O3 / Number of atoms: 35 / Formula weight: 260.288 / Formal charge: 0
Others

7b6m

Type: non-polymer / PDB classification: HETAIN / Three letter code: SZN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B6M
History
Create componentDec 8, 2020
Initial releaseDec 23, 2020
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

CACTVS 3.385Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O
OpenEye OEToolkits 2.0.7Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O

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SMILES CANONICAL

CACTVS 3.385Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O
OpenEye OEToolkits 2.0.7Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O

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InChI

InChI 1.03InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)

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InChIKey

InChI 1.03YVZULSNTKFDGEM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7b6m:
Crystal structure of MurE from E.coli in complex with Z1198948504

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