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- ChemComp-1N0: 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 1N0
NameName: 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione / Synonyms: bis(maleimido)hexane, bound form

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Chemical information

Composition
Formula: C14H20N2O4 / Number of atoms: 40 / Formula weight: 280.32 / Formal charge: 0
Others

4jws

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1N0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4JWS
History
Create componentApr 2, 2013
Other modificationApr 11, 2013
Initial releaseJun 19, 2013
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 12.01O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O
CACTVS 3.370O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O
OpenEye OEToolkits 1.7.6C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O

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SMILES CANONICAL

CACTVS 3.370O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O
OpenEye OEToolkits 1.7.6C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O

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InChI

InChI 1.03InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2

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InChIKey

InChI 1.03PBFKSBAPGGMKKJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
OpenEye OEToolkits 1.7.61-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexyl]pyrrolidine-2,5-dione

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PDB entries

Showing all 4 items

PDB-4jws:
Crystal structure of Cytochrome P450cam-putidaredoxin complex

PDB-4jwu:
Crystal structure of Cytochrome P450cam-putidaredoxin complex

PDB-4jx1:
Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor

PDB-6nbl:
Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide

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