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- ChemComp-EMB: METHYL-CARBAMIC ACID ETHYL ESTER -

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Basic information

EntryDatabase: PDB chemical components / ID: EMB
NameName: methyl-carbamic acid ethyl ester

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Chemical information

Composition
Formula: C4H9NO2 / Number of atoms: 16 / Formula weight: 103.12 / Formal charge: 0
Others

1qnu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EMB / Model coordinates PDB-ID: 1QNU
History
Create componentOct 22, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / DrugBank / Nikkaji / 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 10.04O=C(OCC)NC
CACTVS 3.341CCOC(=O)NC
OpenEye OEToolkits 1.5.0CCOC(=O)NC

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SMILES CANONICAL

CACTVS 3.341CCOC(=O)NC
OpenEye OEToolkits 1.5.0CCOC(=O)NC

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InChI

InChI 1.03InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)

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InChIKey

InChI 1.03SURZCVYFPAXNGN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04ethyl methylcarbamate
OpenEye OEToolkits 1.5.0ethyl N-methylcarbamate

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PDB entries

Showing all 1 items

PDB-1qnu:
Shiga-Like Toxin I B Subunit Complexed with the Bridged-Starfish Inhibitor

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