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CHEBI:191377 - (4S,5S)-isocycloseram

ChEBI IDCHEBI:191377
ChEBI Name(4S,5S)-isocycloseram
Stars
ASCII Name(4S,5S)-isocycloseram
DefinitionThe (4S,5S)-stereoisomer of isocycloseram.
Last Modified9 September 2022
SubmitterAdnan
DownloadsMolfile
FormulaC23H19Cl2F4N3O4
Net Charge0
Average Mass548.320
Monoisotopic Mass547.06887
SMILESCCN1OC[C@H](NC(=O)c2ccc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O
InChIInChI=1S/C23H19Cl2F4N3O4/c1-3-32-21(34)18(10-35-32)30-20(33)14-5-4-12(6-11(14)2)17-9-22(36-31-17,23(27,28)29)13-7-15(24)19(26)16(25)8-13/h4-8,18H,3,9-10H2,1-2H3,(H,30,33)/t18-,22-/m0/s1
InChIKeyWLSQDEYDCAGPIR-AVRDEDQJSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5S)-isocycloseram (CHEBI:191377) is a 4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide (CHEBI:191378)
Incoming Relation(s)
isocycloseram (CHEBI:191373) has part (4S,5S)-isocycloseram (CHEBI:191377)
IUPAC Name 
4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4S)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
Synonym  Source
(5S,4S)-isocycloseramChEBI
Registry NumbersSources
CAS:1429660-18-3ChemIDplus