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- ChemComp-KTP: (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: KTP
NameName: (2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
Synonyms: BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID

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Chemical information

Composition
Formula: C22H17O4P / Number of atoms: 44 / Formula weight: 376.342 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: KTP
History
Create componentFeb 14, 2002
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(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O
CACTVS 3.341O[P](O)(=O)[CH](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)C(=O)C(c3cccc4c3cccc4)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[P](O)(=O)[C@@H](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1

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InChIKey

InChI 1.03OFHMUASCSJJNNA-JOCHJYFZSA-N

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SYSTEMATIC NAME

ACDLabs 10.04[(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid
OpenEye OEToolkits 1.5.0[(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxo-ethyl]phosphonic acid

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PDB entries

Showing all 1 items

PDB-1kyn:
Cathepsin-G

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