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- ChemComp-PAW: N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: PAW
NameName: N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine
Synonyms: N1-{2-[2-(2-AMINO-ETHYLAMINO)-ETHYLAMINO]-ETHYL}-ETHANE-1,2-DIAMINE

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Chemical information

Composition
Formula: C8H23N5 / Number of atoms: 36 / Formula weight: 189.302 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PAW
History
Create componentSep 11, 2006
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
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 10.04NCCNCCNCCNCCN
CACTVS 3.341NCCNCCNCCNCCN
OpenEye OEToolkits 1.5.0C(CNCCNCCNCCN)N

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SMILES CANONICAL

CACTVS 3.341NCCNCCNCCNCCN
OpenEye OEToolkits 1.5.0C(CNCCNCCNCCN)N

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InChI

InChI 1.03InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2

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InChIKey

InChI 1.03FAGUFWYHJQFNRV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine
OpenEye OEToolkits 1.5.0N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine

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PDB entries

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PDB-2ie1:
Polyamines stabilize left-handed Z-DNA. We found new type of polyamine which stabilize left-handed Z-DNA by X-ray crystallography

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