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TH8

Summary
Name:THIAMPHENICOL
Formula:C12 H15 Cl2 N O5 S
Formal charge:0
Formula weight:356.222 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,2-dichloro-N-{(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide
OpenEye OEToolkits1.5.02,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04ClC(Cl)C(=O)NC(C(O)c1ccc(cc1)S(=O)(=O)C)CO
SMILES_CANONICALCACTVS3.341C[S](=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
SMILESCACTVS3.341C[S](=O)(=O)c1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O
SMILESOpenEye OEToolkits1.5.0CS(=O)(=O)c1ccc(cc1)C(C(CO)NC(=O)C(Cl)Cl)O
InChIInChI1.03InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyInChI1.03OTVAEFIXJLOWRX-NXEZZACHSA-N

218853

PDB entries from 2024-04-24

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