N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:127641)

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CHEBI:127641 - N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

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ChEBI ID	CHEBI:127641
ChEBI Name	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H51F3N4O6
Net Charge	0
Average Mass	704.831
Monoisotopic Mass	704.37607
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)C1CCCCC1
InChI	InChI=1S/C37H51F3N4O6/c1-24-21-44(25(2)23-45)35(47)31-20-30(42-36(48)41-29-15-13-28(14-16-29)37(38,39)40)17-18-32(31)50-26(3)10-8-9-19-49-33(24)22-43(4)34(46)27-11-6-5-7-12-27/h13-18,20,24-27,33,45H,5-12,19,21-23H2,1-4H3,(H2,41,42,48)/t24-,25+,26+,33+/m1/s1
InChIKey	PWLXUYPVTOGJHT-FYZNHFMZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:127641) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:127641) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39198	LINCS