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- ChemComp-EOP: {ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) -

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Basic information

EntryDatabase: PDB chemical components / ID: EOP
NameName: {ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
Synonyms: 2,2'-(ETHANE-1,2-DIYLBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID

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Chemical information

Composition
Formula: C6H14N2O8P2 / Number of atoms: 32 / Formula weight: 304.131 / Formal charge: 0
Others

2fzc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EOP / Model coordinates PDB-ID: 2FZC
History
Create componentFeb 17, 2006
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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=C(NCCNC(=O)CP(=O)(O)O)CP(=O)(O)O
CACTVS 3.341O[P](O)(=O)CC(=O)NCCNC(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[P](O)(=O)CC(=O)NCCNC(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C6H14N2O8P2/c9-5(3-17(11,12)13)7-1-2-8-6(10)4-18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)

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InChIKey

InChI 1.03RPUNQQORCLHWTD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04{ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
OpenEye OEToolkits 1.5.0[2-oxo-2-[2-(2-phosphonoethanoylamino)ethylamino]ethyl]phosphonic acid

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PDB entries

Showing all 1 items

PDB-2fzc:
The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.10 Resolution

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