N-[(3R,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]-4-pyridinecarboxamide (CHEBI:129248)

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CHEBI:129248 - N-[(3R,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]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:129248
ChEBI Name	N-[(3R,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]-4-pyridinecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C36H45F3N4O5
Net Charge	0
Average Mass	670.773
Monoisotopic Mass	670.33421
SMILES	C[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)c3ccncc3)ccc2O1
InChI	InChI=1S/C36H45F3N4O5/c1-24-20-43(25(2)23-44)35(46)31-19-30(41-34(45)28-14-16-40-17-15-28)12-13-32(31)48-26(3)7-5-6-18-47-33(24)22-42(4)21-27-8-10-29(11-9-27)36(37,38)39/h8-17,19,24-26,33,44H,5-7,18,20-23H2,1-4H3,(H,41,45)/t24-,25+,26-,33+/m1/s1
InChIKey	ULSHRNFHFOMVNH-PIMCHDTMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,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]-4-pyridinecarboxamide (CHEBI:129248) is a azamacrocycle (CHEBI:52898)
	N-[(3R,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]-4-pyridinecarboxamide (CHEBI:129248) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
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