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N2P : Summary
Code
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N2P
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One-letter code
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X
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Molecule name
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PENTANE-1,5-DIAMINE
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Systematic names
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Formula
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C5 H14 N2
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Formal charge
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0
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Molecular weight
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102.178 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
NCCCCCN |
SMILES
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CACTVS |
3.341 |
NCCCCCN |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CCN)CCN |
Canonical SMILES
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CACTVS |
3.341 |
NCCCCCN |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CCN)CCN |
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IUPAC InChI | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 |
IUPAC InChI key | VHRGRCVQAFMJIZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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21 (7 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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2002-05-23
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Last modified at
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2011-06-04
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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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