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- ChemComp-FK8: (phenylmethyl) carbamate -

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Basic information

EntryDatabase: PDB chemical components / ID: FK8
NameName: (phenylmethyl) carbamate

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Chemical information

Composition
Formula: C8H9NO2 / Number of atoms: 20 / Formula weight: 151.163 / Formal charge: 0
Others

6h29

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FK8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H29
History
Create componentJul 16, 2018
Initial releaseSep 5, 2018
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / 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

CACTVS 3.385NC(=O)OCc1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)COC(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)OCc1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)COC(=O)N

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InChI

InChI 1.03InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

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InChIKey

InChI 1.03PUJDIJCNWFYVJX-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(phenylmethyl) carbamate

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PDB entries

Showing all 1 items

PDB-6h29:
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE

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