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- ChemComp-FXF: (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FXF
NameName: (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid

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Chemical information

Composition
Formula: C9H10BrNO2 / Number of atoms: 23 / Formula weight: 244.085 / Formal charge: 0
Others

8ke4

Type: D-peptide linking / PDB classification: ATOMP / Three letter code: FXF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8KE4
History
Create componentJun 30, 2020
Modify model coordinates codeAug 31, 2023
Initial releaseNov 1, 2023
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 3.385N[CH](Cc1cccc(Br)c1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Br)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@H](Cc1cccc(Br)c1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Br)C[C@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1

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InChIKey

InChI 1.03GDMOHOYNMWWBAU-MRVPVSSYSA-N

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PDB entries

Showing all 1 items

PDB-8ke4:
PylRS C-terminus domain mutant bound with D-3-bromophenylalanine and AMPNP

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