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- ChemComp-RWM: (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4... -

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Basic information

EntryDatabase: PDB chemical components / ID: RWM
NameName: (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione

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Chemical information

Composition
Formula: C15H14N2O3 / Number of atoms: 34 / Formula weight: 270.283 / Formal charge: 0
Others

5r4u

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RWM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R4U
History
Create componentFeb 27, 2020
Initial releaseJul 8, 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 12.01n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3
CACTVS 3.385C[C]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O
OpenEye OEToolkits 2.0.6CC1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3

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SMILES CANONICAL

CACTVS 3.385C[C@@]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O
OpenEye OEToolkits 2.0.6C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3

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InChI

InChI 1.03InChI=1S/C15H14N2O3/c1-15(13(18)8-14(19)16-15)9-11-7-12(17-20-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,19)/t15-/m0/s1

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InChIKey

InChI 1.03QYMOUPYIBHTJEC-HNNXBMFYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
OpenEye OEToolkits 2.0.6(5~{S})-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-5r4u:
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-43

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