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- ChemComp-CUP: (N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II) -

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Basic information

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

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Chemical information

Composition
Formula: C16H13CuNO3 / Number of atoms: 34 / Formula weight: 330.825 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: CUP / Ideal coordinates details: Corina / Ambiguous flag: Yes
History
Create componentFeb 13, 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 3.385O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC2C(=O)O[Cu]3[N]2=Cc4ccccc4O3

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SMILES CANONICAL

CACTVS 3.385O=C1O[Cu]Oc2ccccc2C=N[C@H]1Cc3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3

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InChI

InChI 1.06InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/q;+2/p-2/b17-11+;/t14-;/m0./s1

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InChIKey

InChI 1.06YEXSLHMEGKWMMU-VNKRLIBXSA-L

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PDB entries

Showing all 1 items

PDB-2eb8:
Crystal Structure of Cu(II)(Sal-Phe)/apo-Myoglobin

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