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CHEBI:128407 - N-[(3S,9R,10R)-12-[(2S)-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]-1-methyl-4-imidazolesulfonamide

ChEBI IDCHEBI:128407
ChEBI NameN-[(3S,9R,10R)-12-[(2S)-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]-1-methyl-4-imidazolesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC34H46F3N5O6S
Net Charge0
Average Mass709.832
Monoisotopic Mass709.31209
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C34H46F3N5O6S/c1-23-17-42(24(2)21-43)33(44)29-16-28(39-49(45,46)32-20-41(5)22-38-32)13-14-30(29)48-25(3)8-6-7-15-47-31(23)19-40(4)18-26-9-11-27(12-10-26)34(35,36)37/h9-14,16,20,22-25,31,39,43H,6-8,15,17-19,21H2,1-5H3/t23-,24+,25+,31+/m1/s1
InChIKeyGTUQXIUJJGJFLR-HSFWNXDSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10R)-12-[(2S)-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]-1-methyl-4-imidazolesulfonamide (CHEBI:128407) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10R)-12-[(2S)-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]-1-methyl-4-imidazolesulfonamide (CHEBI:128407) is a lactam (CHEBI:24995)
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