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- ChemComp-2L5: 2-chloro-L-phenylalanine -

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Basic information

EntryDatabase: PDB chemical components / ID: 2L5
NameName: 2-chloro-L-phenylalanine

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Chemical information

Composition
Formula: C9H10ClNO2 / Number of atoms: 23 / Formula weight: 199.634 / Formal charge: 0
Others

4my6

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: 2L5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MY6
History
Create componentNov 25, 2013
Initial releaseOct 15, 2014
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / Nikkaji / PubChem / SureChEMBL / 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

ACDLabs 12.01Clc1ccccc1CC(C(=O)O)N
CACTVS 3.385N[CH](Cc1ccccc1Cl)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)CC(C(=O)O)N)Cl

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SMILES CANONICAL

CACTVS 3.385N[C@@H](Cc1ccccc1Cl)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl

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InChI

InChI 1.03InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

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InChIKey

InChI 1.03CVZZNRXMDCOHBG-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-chloro-L-phenylalanine
OpenEye OEToolkits 1.7.6(2S)-2-azanyl-3-(2-chlorophenyl)propanoic acid

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PDB entries

Showing all 1 items

PDB-7rsm:
Crystal structure of pyrrolysyl-tRNA synthetase (N346D/C348S/Y384F) in complex with o-Chlorophenylalanine and AMP-PNP

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