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- ChemComp-ZLD: N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin... -

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Basic information

EntryDatabase: PDB chemical components / ID: ZLD
NameName: N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
Synonyms: Linezolid
Commentantibiotic*YM

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Chemical information

Composition
Formula: C16H20FN3O4 / Number of atoms: 44 / Formula weight: 337.346 / Formal charge: 0
Others

3cpw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZLD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CPW
History
Create componentJun 3, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJul 13, 2015
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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=C1OC(CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
CACTVS 3.341CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2
OpenEye OEToolkits 1.5.0CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3

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SMILES CANONICAL

CACTVS 3.341CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2
OpenEye OEToolkits 1.5.0CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3

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InChI

InChI 1.03InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1

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InChIKey

InChI 1.03TYZROVQLWOKYKF-ZDUSSCGKSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
OpenEye OEToolkits 1.5.0N-[[(5S)-3-(3-fluoro-4-morpholin-4-yl-phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanamide

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