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- ChemComp-JP8: [(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylide... -

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Basic information

EntryDatabase: PDB chemical components / ID: JP8
NameName: [(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate

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Chemical information

Composition
Formula: C11H17N3O4 / Number of atoms: 35 / Formula weight: 255.27 / Formal charge: 0
Others

6r1a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JP8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6R1A
History
Create componentMar 14, 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 3.385O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
OpenEye OEToolkits 2.0.7C1CC(NC1)COC(=O)NC2CCC(=O)NC2=O

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SMILES CANONICAL

CACTVS 3.385O=C1CC[C@H](NC(=O)OC[C@H]2CCCN2)C(=O)N1
OpenEye OEToolkits 2.0.7C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O

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InChI

InChI 1.03InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1

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InChIKey

InChI 1.03UKQUVPXPHSBKIC-SFYZADRCSA-N

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PDB entries

Showing all 1 items

PDB-6r1a:
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20b

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