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- ChemComp-RD8: Radezolid -

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Basic information

EntryDatabase: PDB chemical components / ID: RD8
NameName: Radezolid / Synonyms: RX-1741

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Chemical information

Composition
Formula: C22H23FN6O3 / Number of atoms: 55 / Formula weight: 438.455 / Formal charge: 0
Others

6wqq

Type: non-polymer / PDB classification: HETAIN / Three letter code: RD8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WQQ
History
Create componentApr 29, 2020
Initial releaseJun 3, 2020
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 12.01c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c3)N4CC(OC4=O)CNC(C)=O
CACTVS 3.385CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3
OpenEye OEToolkits 2.0.7CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4

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SMILES CANONICAL

CACTVS 3.385CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3
OpenEye OEToolkits 2.0.7CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4

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InChI

InChI 1.03InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1

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InChIKey

InChI 1.03BTTNOGHPGJANSW-IBGZPJMESA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-({(5S)-3-[2-fluoro-4'-({[(1H-1,2,3-triazol-4-yl)methyl]amino}methyl)[1,1'-biphenyl]-4-yl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
OpenEye OEToolkits 2.0.7~{N}-[[(5~{S})-3-[3-fluoranyl-4-[4-[(1~{H}-1,2,3-triazol-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide

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PDB entries

Showing all 4 items

PDB-6wqq:
Structure of the 50S subunit of the ribosome from Methicillin Resistant Staphylococcus aureus in complex with the antibiotic, radezolid

PDB-7s1i:
Wild-type Escherichia coli stalled ribosome with antibiotic radezolid

PDB-7s1j:
Wild-type Escherichia coli ribosome with antibiotic radezolid

PDB-7s1k:
Cfr-modified Escherichia coli stalled ribosome with antibiotic radezolid

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