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- ChemComp-NPQ: N-acetyl naphthylalanine -

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Basic information

EntryDatabase: PDB chemical components / ID: NPQ
NameName: N-acetyl naphthylalanine

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Chemical information

Composition
Formula: C15H15NO3 / Number of atoms: 34 / Formula weight: 257.284 / Formal charge: 0
Others

5fjo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NPQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FJO
History
Create componentOct 12, 2015
Initial releaseNov 16, 2016
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

CACTVS 3.385CC(=O)N[CH](Cc1ccc2ccccc2c1)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

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InChI

InChI 1.03InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1

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InChIKey

InChI 1.03HGTIILKZSFKZMS-AWEZNQCLSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6(2S)-2-acetamido-3-naphthalen-2-yl-propanoic acid

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PDB entries

Showing all 3 items

PDB-5fjo:
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl naphthylalanine

PDB-5fjp:
N-acyl amino acid racemase from Amycolatopsis sp Ts-1-60: G291D F323Y I293G mutant in complex with N-acetyl naphthylalanine

PDB-5fjr:
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: Q26A M50I G291D F323Y mutant in complex with N-acetyl napthylalanine

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