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- ChemComp-G6M: 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3... -

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Basic information

EntryDatabase: PDB chemical components / ID: G6M
NameName: 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
Synonyms: oxazolidinone antibiotic LZD-6
Commentantibiotic*YM

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Chemical information

Composition
Formula: C16H19ClFN3O4 / Number of atoms: 44 / Formula weight: 371.791 / Formal charge: 0
Others

6ddg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G6M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DDG
History
Create componentMay 10, 2018
Initial releaseMar 20, 2019
Modify synonymsMar 1, 2021
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 12.01c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3
CACTVS 3.385Fc1cc(ccc1N2CCOCC2)N3C[CH](CNC(=O)CCl)OC3=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1N2CC(OC2=O)CNC(=O)CCl)F)N3CCOCC3

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SMILES CANONICAL

CACTVS 3.385Fc1cc(ccc1N2CCOCC2)N3C[C@H](CNC(=O)CCl)OC3=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3

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InChI

InChI 1.03InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1

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InChIKey

InChI 1.03BLEAWUVPPDXJFJ-LBPRGKRZSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
OpenEye OEToolkits 2.0.62-chloranyl-~{N}-[[(5~{S})-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide

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PDB entries

Showing all 1 items

PDB-6ddg:
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6

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