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- ChemComp-VZY: N-(3-methylbenzene-1-carbonyl)glycine -

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Basic information

EntryDatabase: PDB chemical components / ID: VZY
NameName: N-(3-methylbenzene-1-carbonyl)glycine

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Chemical information

Composition
Formula: C10H11NO3 / Number of atoms: 25 / Formula weight: 193.199 / Formal charge: 0
Others

5rq9
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: VZY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RQ9
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 12.01c1c(cc(cc1)C)C(NCC(O)=O)=O
CACTVS 3.385Cc1cccc(c1)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.7Cc1cccc(c1)C(=O)NCC(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

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InChIKey

InChI 1.03YKAKNMHEIJUKEX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(3-methylbenzene-1-carbonyl)glycine
OpenEye OEToolkits 2.0.72-[(3-methylphenyl)carbonylamino]ethanoic acid

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PDB entries

Showing all 3 items

PDB-5s2m:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56827661

PDB-5sc5:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661

PDB-7hn4:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z56827661

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