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- ChemComp-N16: (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: N16
NameName: (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione

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Chemical information

Composition
Formula: C19H18N2O2 / Number of atoms: 41 / Formula weight: 306.358 / Formal charge: 0
Others

3hkd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: N16 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HKD
History
Create componentMay 27, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ZINC / 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 10.04O=C2C(=C(\Nc1ccccc1)C)/C(=O)C(N2)Cc3ccccc3
CACTVS 3.341CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=O
OpenEye OEToolkits 1.5.0CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3

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SMILES CANONICAL

CACTVS 3.341C\C(Nc1ccccc1)=C/2C(=O)N[C@@H](Cc3ccccc3)C/2=O
OpenEye OEToolkits 1.5.0C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3

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InChI

InChI 1.03InChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,20H,12H2,1H3,(H,21,23)/b17-13-/t16-/m0/s1

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InChIKey

InChI 1.03KWSXUGYAGMSUTN-MUBYSKIDSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
OpenEye OEToolkits 1.5.0(3Z,5S)-3-(1-phenylazanylethylidene)-5-(phenylmethyl)pyrrolidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-3hkd:
Tubulin-TN16 : RB3 stathmin-like domain complex

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