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- ChemComp-JPQ: ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but... -

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Basic information

EntryDatabase: PDB chemical components / ID: JPQ
NameName: ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide

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Chemical information

Composition
Formula: C9H12N2O3 / Number of atoms: 26 / Formula weight: 196.203 / Formal charge: 0
Others

6r1x

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JPQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6R1X
History
Create componentMar 15, 2019
Initial releaseAug 7, 2019
External linksUniChem / ChemSpider / PubChem / 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 3.385CC(C)=CC(=O)N[CH]1CC(=O)NC1=O
OpenEye OEToolkits 2.0.7CC(=CC(=O)NC1CC(=O)NC1=O)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CC(=O)N[C@H]1CC(=O)NC1=O
OpenEye OEToolkits 2.0.7CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C

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InChI

InChI 1.03InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1

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InChIKey

InChI 1.03RSHQAELIOFFTCL-LURJTMIESA-N

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PDB entries

Showing all 1 items

PDB-6r1x:
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a

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