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CHEBI:126822 - N-[(3S,9R,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:126822
ChEBI NameN-[(3S,9R,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC34H45F3N4O8
Net Charge0
Average Mass694.748
Monoisotopic Mass694.31895
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C34H45F3N4O8/c1-21-17-41(22(2)19-42)32(44)26-15-24(38-31(43)12-13-34(35,36)37)8-10-27(26)49-23(3)7-5-6-14-46-30(21)18-40(4)33(45)39-25-9-11-28-29(16-25)48-20-47-28/h8-11,15-16,21-23,30,42H,5-7,12-14,17-20H2,1-4H3,(H,38,43)(H,39,45)/t21-,22-,23+,30+/m1/s1
InChIKeyBZCYEFWYEYUQFU-LRKPSKMWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide (CHEBI:126822) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10R)-9-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide (CHEBI:126822) is a lactam (CHEBI:24995)
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