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CHEBI:83933 - (S,S)-tubulozole

ChEBI IDCHEBI:83933
ChEBI Name(S,S)-tubulozole
Stars
ASCII Name(S,S)-tubulozole
DefinitionAn ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have S-configuration.
Last Modified28 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC23H23Cl2N3O4S
Net Charge0
Average Mass508.427
Monoisotopic Mass507.07863
SMILESCCOC(=O)Nc1ccc(SC[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1
InChIInChI=1S/C23H23Cl2N3O4S/c1-2-30-22(29)27-17-4-6-19(7-5-17)33-13-18-12-31-23(32-18,14-28-10-9-26-15-28)20-8-3-16(24)11-21(20)25/h3-11,15,18H,2,12-14H2,1H3,(H,27,29)/t18-,23+/m0/s1
InChIKeyOGPIBXIQNMQSPY-FDDCHVKYSA-N
ChEBI Ontology
Outgoing Relation(s)
(S,S)-tubulozole (CHEBI:83933) is a ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate (CHEBI:83931)
(S,S)-tubulozole (CHEBI:83933) is enantiomer of (R,R)-tubulozole (CHEBI:83932)
Incoming Relation(s)
tubulozole (CHEBI:83928) has part (S,S)-tubulozole (CHEBI:83933)
(R,R)-tubulozole (CHEBI:83932) is enantiomer of (S,S)-tubulozole (CHEBI:83933)
IUPAC Name 
ethyl [4-({[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate