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VPR : Summary
Code
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VPR
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One-letter code
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X
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Molecule name
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2-PROPYLPENTANAMIDE
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Synonyms
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VALPROMIDE
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Systematic names
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Formula
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C8 H17 N O
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Formal charge
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0
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Molecular weight
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143.227 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(N)C(CCC)CCC |
SMILES
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CACTVS |
3.341 |
CCCC(CCC)C(N)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCC(CCC)C(=O)N |
Canonical SMILES
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CACTVS |
3.341 |
CCCC(CCC)C(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCC(CCC)C(=O)N |
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IUPAC InChI | InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10) |
IUPAC InChI key | OMOMUFTZPTXCHP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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27 (10 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2003-02-03
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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