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- ChemComp-CNG: N-cyclooctylglycine -

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Basic information

EntryDatabase: PDB chemical components / ID: CNG
NameName: N-cyclooctylglycine

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Chemical information

Composition
Formula: C10H19NO2 / Number of atoms: 32 / Formula weight: 185.263 / Formal charge: 0
Others

2zhe

Type: PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: CNG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZHE
History
Create componentNov 12, 2010
Modify descriptorJun 4, 2011
Other modificationMay 23, 2013
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 12.01O=C(O)CNC1CCCCCCC1
CACTVS 3.370OC(=O)CNC1CCCCCCC1
OpenEye OEToolkits 1.7.6C1CCCC(CCC1)NCC(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)CNC1CCCCCCC1
OpenEye OEToolkits 1.7.6C1CCCC(CCC1)NCC(=O)O

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InChI

InChI 1.03InChI=1S/C10H19NO2/c12-10(13)8-11-9-6-4-2-1-3-5-7-9/h9,11H,1-8H2,(H,12,13)

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InChIKey

InChI 1.03PNKNDNFLQNMQJL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-cyclooctylglycine
OpenEye OEToolkits 1.7.62-(cyclooctylamino)ethanoic acid

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PDB entries

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