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CHEBI:129278 - N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide

ChEBI IDCHEBI:129278
ChEBI NameN-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC35H47F3N4O7S
Net Charge0
Average Mass724.843
Monoisotopic Mass724.31176
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2
InChIInChI=1S/C35H47F3N4O7S/c1-22-18-42(23(2)21-43)34(44)30-17-29(40-50(45,46)33-25(4)39-49-26(33)5)14-15-31(30)48-24(3)9-7-8-16-47-32(22)20-41(6)19-27-10-12-28(13-11-27)35(36,37)38/h10-15,17,22-24,32,40,43H,7-9,16,18-21H2,1-6H3/t22-,23+,24+,32+/m0/s1
InChIKeyCBAAPWVHONFTKW-OBFUEJMCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:129278) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:129278) is a lactam (CHEBI:24995)
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