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- ChemComp-M7Y: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phen... -

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Basic information

EntryDatabase: PDB chemical components / ID: M7Y
NameName: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide

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Chemical information

Composition
Formula: C19H25N3O3 / Number of atoms: 50 / Formula weight: 343.42 / Formal charge: 0
Others

6odc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M7Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ODC
History
Create componentMar 27, 2019
Initial releaseApr 1, 2020
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 12.01c1(c([C@H]=CC(=O)NO)cccc1)N3C(CN(C2CCCC2)C3=O)(C)C
CACTVS 3.385CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3C=CC(=O)NO
OpenEye OEToolkits 2.0.7CC1(CN(C(=O)N1c2ccccc2C=CC(=O)NO)C3CCCC3)C

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SMILES CANONICAL

CACTVS 3.385CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3/C=C/C(=O)NO
OpenEye OEToolkits 2.0.7CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C

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InChI

InChI 1.03InChI=1S/C19H25N3O3/c1-19(2)13-21(15-8-4-5-9-15)18(24)22(19)16-10-6-3-7-14(16)11-12-17(23)20-25/h3,6-7,10-12,15,25H,4-5,8-9,13H2,1-2H3,(H,20,23)/b12-11+

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InChIKey

InChI 1.03ILHJFGLWWDTUKY-VAWYXSNFSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide
OpenEye OEToolkits 2.0.7(~{E})-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxidanylidene-imidazolidin-1-yl)phenyl]-~{N}-oxidanyl-prop-2-enamide

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PDB entries

Showing all 1 items

PDB-6odc:
Crystal structure of HDAC8 in complex with compound 30

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