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- ChemComp-GYY: N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-... -

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Basic information

EntryDatabase: PDB chemical components / ID: GYY
NameName: N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide

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Chemical information

Composition
Formula: C22H34N4O / Number of atoms: 61 / Formula weight: 370.532 / Formal charge: 0
Others

6dm1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GYY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DM1
History
Create componentJun 5, 2018
Initial releaseAug 22, 2018
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 12.01c1cc2ccccc2c(c1)CC(=O)NCCCNCCCCNCCCN
CACTVS 3.385NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN

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SMILES CANONICAL

CACTVS 3.385NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN

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InChI

InChI 1.03InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27)

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InChIKey

InChI 1.03ZUINPPQIQARTKX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide
OpenEye OEToolkits 2.0.6~{N}-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-naphthalen-1-yl-ethanamide

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PDB entries

Showing all 1 items

PDB-6dm1:
Open state GluA2 in complex with STZ and blocked by NASPM, after micelle signal subtraction

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