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- ChemComp-T9Q: N-Benzyl-2-methoxyacetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: T9Q
NameName: N-Benzyl-2-methoxyacetamide / Synonyms: 2-methoxy-~{N}-(phenylmethyl)ethanamide

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Chemical information

Composition
Formula: C10H13NO2 / Number of atoms: 26 / Formula weight: 179.216 / Formal charge: 0
Others

7bch

Type: non-polymer / PDB classification: HETAIN / Three letter code: T9Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BCH
History
Create componentDec 20, 2020
Initial releaseJan 12, 2022
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 3.385COCC(=O)NCc1ccccc1
OpenEye OEToolkits 2.0.7COCC(=O)NCc1ccccc1

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SMILES CANONICAL

CACTVS 3.385COCC(=O)NCc1ccccc1
OpenEye OEToolkits 2.0.7COCC(=O)NCc1ccccc1

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InChI

InChI 1.03InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)

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InChIKey

InChI 1.03VLAPGEODGZEQPC-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-7bch:
Notum Fragment 772

PDB-7hnb:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z31478538

PDB-7ht4:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z31478538

PDB-8pld:
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 14.

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