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- ChemComp-TC5: ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: TC5
NameName: ethyl hydrogen propylamidophosphate

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Chemical information

Composition
Formula: C5H14NO3P / Number of atoms: 24 / Formula weight: 167.143 / Formal charge: 0
Others

2wik

Type: non-polymer / PDB classification: HETAIN / Three letter code: TC5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WIK
History
Create componentMay 12, 2009
Modify descriptorJun 4, 2011
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

ACDLabs 10.04O=P(O)(OCC)NCCC
CACTVS 3.352CCCN[P](O)(=O)OCC
OpenEye OEToolkits 1.6.1CCCNP(=O)(O)OCC

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SMILES CANONICAL

CACTVS 3.352CCCN[P](O)(=O)OCC
OpenEye OEToolkits 1.6.1CCCN[P@](=O)(O)OCC

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InChI

InChI 1.03InChI=1S/C5H14NO3P/c1-3-5-6-10(7,8)9-4-2/h3-5H2,1-2H3,(H2,6,7,8)

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InChIKey

InChI 1.03KZWTXXKNHNYEFB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04ethyl hydrogen propylamidophosphate
OpenEye OEToolkits 1.6.1ethoxy-N-propyl-phosphonamidic acid

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PDB entries

Showing all 1 items

PDB-2wik:
NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6

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