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- ChemComp-VPR: 2-PROPYLPENTANAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: VPR
NameName: 2-propylpentanamide / Synonyms: VALPROMIDE

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Chemical information

Composition
Formula: C8H17NO / Number of atoms: 27 / Formula weight: 143.227 / Formal charge: 0
Others

1nu3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VPR / Model coordinates PDB-ID: 1NU3
History
Create componentFeb 3, 2003
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=C(N)C(CCC)CCC
CACTVS 3.341CCCC(CCC)C(N)=O
OpenEye OEToolkits 1.5.0CCCC(CCC)C(=O)N

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SMILES CANONICAL

CACTVS 3.341CCCC(CCC)C(N)=O
OpenEye OEToolkits 1.5.0CCCC(CCC)C(=O)N

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InChI

InChI 1.03InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)

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InChIKey

InChI 1.03OMOMUFTZPTXCHP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-propylpentanamide
OpenEye OEToolkits 1.5.02-propylpentanamide

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PDB entries

Showing all 4 items

PDB-1nu3:
Limonene-1,2-epoxide hydrolase in complex with valpromide

PDB-2cjp:
Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1)

PDB-3g0i:
Complex of Aspergillus niger epoxide hydrolase with valpromide (2-propylpentanamide)

PDB-5aig:
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample- Valpromide complex

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