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- ChemComp-CCB: CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: CCB
NameName: cyclobutyl(cyclopentyl)formamide / Synonyms: N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE

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Chemical information

Composition
Formula: C10H17NO / Number of atoms: 29 / Formula weight: 167.248 / Formal charge: 0
Others

1u3t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CCB / Model coordinates PDB-ID: 1U3T
History
Create componentJul 26, 2004
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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

ACDLabs 10.04O=CN(C1CCC1)C2CCCC2
CACTVS 3.341O=CN(C1CCCC1)C2CCC2
OpenEye OEToolkits 1.5.0C1CCC(C1)N(C=O)C2CCC2

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SMILES CANONICAL

CACTVS 3.341O=CN(C1CCCC1)C2CCC2
OpenEye OEToolkits 1.5.0C1CCC(C1)N(C=O)C2CCC2

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InChI

InChI 1.03InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2

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InChIKey

InChI 1.03DWGVYBRKKSJLNS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-cyclobutyl-N-cyclopentylformamide
OpenEye OEToolkits 1.5.0N-cyclobutyl-N-cyclopentyl-methanamide

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PDB entries

Showing all 1 items

PDB-1u3t:
Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution

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