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- ChemComp-5CR: N-acetyl-L-phenylalanine -

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Basic information

EntryDatabase: PDB chemical components / ID: 5CR
NameName: N-acetyl-L-phenylalanine

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Chemical information

Composition
Formula: C11H13NO3 / Number of atoms: 28 / Formula weight: 207.226 / Formal charge: 0
Others

5fjt

PHE

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: F / Three letter code: 5CR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FJT / Parent comp.: PHE
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](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)NC(Cc1ccccc1)C(=O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H](Cc1ccccc1)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

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InChIKey

InChI 1.03CBQJSKKFNMDLON-JTQLQIEISA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 3 items

PDB-5fjt:
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: G291D F323 mutant in complex with N-acetyl phenylalanine

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

PDB-5m1j:
Nonstop ribosomal complex bound with Dom34 and Hbs1

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