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- ChemComp-8LC: N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE) -

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Basic information

EntryDatabase: PDB chemical components / ID: 8LC
NameName: N,N'-octane-1,8-diylbis(2,3-dihydroxybenzamide)

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Chemical information

Composition
Formula: C22H28N2O6 / Number of atoms: 58 / Formula weight: 416.468 / Formal charge: 0
Others

5ad1

Type: non-polymer / PDB classification: HETAIN / Three letter code: 8LC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AD1
History
Create componentAug 19, 2015
Initial releaseSep 28, 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 3.385Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O

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SMILES CANONICAL

CACTVS 3.385Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O

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InChI

InChI 1.03InChI=1S/C22H28N2O6/c25-17-11-7-9-15(19(17)27)21(29)23-13-5-3-1-2-4-6-14-24-22(30)16-10-8-12-18(26)20(16)28/h7-12,25-28H,1-6,13-14H2,(H,23,29)(H,24,30)

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InChIKey

InChI 1.03DREKRZFIOMALFJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6N-[8-[[2,3-bis(oxidanyl)phenyl]carbonylamino]octyl]-2,3-bis(oxidanyl)benzamide

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PDB entries

Showing all 1 items

PDB-5ad1:
A complex of the synthetic siderophore analogue Fe(III)-8-LICAM with the CeuE periplasmic protein from Campylobacter jejuni

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