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- ChemComp-3NF: N-acetyl-L-tyrosine -

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Basic information

EntryDatabase: PDB chemical components / ID: 3NF
NameName: N-acetyl-L-tyrosine

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Chemical information

Composition
Formula: C11H13NO4 / Number of atoms: 29 / Formula weight: 223.225 / Formal charge: 0
Others

TYR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Y / Three letter code: 3NF / Ideal coordinates details: Corina / Parent comp.: TYR
History
Create componentJun 11, 2010
Modify aromatic flagJun 4, 2011
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 12.01O=C(O)C(NC(=O)C)Cc1ccc(O)cc1
CACTVS 3.370CC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.7.0CC(=O)NC(Cc1ccc(cc1)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1

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InChIKey

InChI 1.03CAHKINHBCWCHCF-JTQLQIEISA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-acetyl-L-tyrosine
OpenEye OEToolkits 1.7.0(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid

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PDB entries

Showing all 1 items

PDB-3nfz:
Crystal structure of murine aminoacylase 3 in complex with N-acetyl-L-tyrosine

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