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- ChemComp-LP7: ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate -

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Basic information

EntryDatabase: PDB chemical components / ID: LP7
NameName: ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

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Chemical information

Composition
Formula: C11H12N2O5 / Number of atoms: 30 / Formula weight: 252.223 / Formal charge: 0
Others

3lp0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LP7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LP0
History
Create componentFeb 10, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 3.352CCOC(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O
OpenEye OEToolkits 1.7.0CCOC(=O)C1C(c2cccnc2N(C1=O)O)O

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SMILES CANONICAL

CACTVS 3.352CCOC(=O)[C@H]1[C@@H](O)c2cccnc2N(O)C1=O
OpenEye OEToolkits 1.7.0CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O

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InChI

InChI 1.03InChI=1S/C11H12N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,7-8,14,17H,2H2,1H3/t7-,8-/m0/s1

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InChIKey

InChI 1.03MTVPGFFXVTZGIM-YUMQZZPRSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1ethyl (3S)-1,4-dihydroxy-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxylate

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PDB entries

Showing all 1 items

PDB-3lp0:
HIV-1 reverse transcriptase with inhibitor

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