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- ChemComp-CUS: (N-SALICYLIDEN-L-LEUCINATO)-COPPER(II) -

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Basic information

EntryDatabase: PDB chemical components / ID: CUS
NameName: (N-salicyliden-L-leucinato)-copper(ii)

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Chemical information

Composition
Formula: C13H15CuNO3 / Number of atoms: 33 / Formula weight: 296.809 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: CUS / Ideal coordinates details: Corina / Ambiguous flag: Yes
History
Create componentFeb 15, 2007
Modify descriptorSep 23, 2023
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O
OpenEye OEToolkits 2.0.7CC(C)CC1C(=O)O[Cu]2[N]1=Cc3ccccc3O2

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SMILES CANONICAL

CACTVS 3.385CC(C)C[C@@H]1N=Cc2ccccc2O[Cu]OC1=O
OpenEye OEToolkits 2.0.7CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2

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InChI

InChI 1.06InChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15;/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17);/q;+2/p-2/b14-8+;/t11-;/m0./s1

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InChIKey

InChI 1.06KPMFLJZVJBUURT-GKNZWTILSA-L

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PDB entries

Showing all 1 items

PDB-2eb9:
Crystal Structure of Cu(II)(Sal-Leu)/apo-Myoglobin

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