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- ChemComp-JPW: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)pi... -

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Basic information

EntryDatabase: PDB chemical components / ID: JPW
NameName: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate

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Chemical information

Composition
Formula: C13H21N3O4 / Number of atoms: 41 / Formula weight: 283.324 / Formal charge: 0
Others

6r1w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JPW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6R1W
History
Create componentMar 15, 2019
Initial releaseAug 7, 2019
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 3.385N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7C1CC(CCC1COC(=O)NC2CCC(=O)NC2=O)N

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SMILES CANONICAL

CACTVS 3.385N[C@H]1CC[C@@H](CC1)COC(=O)N[C@H]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N

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InChI

InChI 1.03InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1

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InChIKey

InChI 1.03HEPIPPZEYDEJHT-GUBZILKMSA-N

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PDB entries

Showing all 1 items

PDB-6r1w:
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 16b

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