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CHEBI:129324 - N'-(2-aminophenyl)-N-[(3R,9R,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]heptanediamide

ChEBI IDCHEBI:129324
ChEBI NameN'-(2-aminophenyl)-N-[(3R,9R,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]heptanediamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC43H58F3N5O6
Net Charge0
Average Mass797.960
Monoisotopic Mass797.43392
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1
InChIInChI=1S/C43H58F3N5O6/c1-29-25-51(30(2)28-52)42(55)35-24-34(48-40(53)15-6-5-7-16-41(54)49-37-14-9-8-13-36(37)47)21-22-38(35)57-31(3)12-10-11-23-56-39(29)27-50(4)26-32-17-19-33(20-18-32)43(44,45)46/h8-9,13-14,17-22,24,29-31,39,52H,5-7,10-12,15-16,23,25-28,47H2,1-4H3,(H,48,53)(H,49,54)/t29-,30+,31+,39-/m0/s1
InChIKeyAWJKRLHTWHRSHK-FHIAQFFBSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(3R,9R,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]heptanediamide (CHEBI:129324) is a azamacrocycle (CHEBI:52898)
N'-(2-aminophenyl)-N-[(3R,9R,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]heptanediamide (CHEBI:129324) is a lactam (CHEBI:24995)
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