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- ChemComp-6EL: 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: 6EL
NameName: 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione

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Chemical information

Composition
Formula: C13H10N2O4 / Number of atoms: 29 / Formula weight: 258.229 / Formal charge: 0
Others

5b5c
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6EL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5B5C
History
Create componentMay 11, 2016
Initial releaseFeb 7, 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

CACTVS 3.385O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O

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SMILES CANONICAL

CACTVS 3.385O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O

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InChI

InChI 1.03InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1

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InChIKey

InChI 1.03UEJJHQNACJXSKW-SECBINFHSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.42-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione

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PDB entries

Showing all 1 items

PDB-5yj1:
Mouse Cereblon thalidomide binding domain complexed with R-form thalidomide

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