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PAW : Summary
Code ![](/pdbe/static/images/help.png)
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PAW
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H23 N5
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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189.302 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
NCCNCCNCCNCCN |
SMILES
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CACTVS |
3.341 |
NCCNCCNCCNCCN |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CNCCNCCNCCN)N |
Canonical SMILES
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CACTVS |
3.341 |
NCCNCCNCCNCCN |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CNCCNCCNCCN)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FAGUFWYHJQFNRV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (13 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2006-09-11
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-13
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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