N-[[(3R,9S,10S)-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-methylbenzamide (CHEBI:129712)

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CHEBI:129712 - N-[[(3R,9S,10S)-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-methylbenzamide

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ChEBI ID	CHEBI:129712
ChEBI Name	N-[[(3R,9S,10S)-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-methylbenzamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H45F3N4O6
Net Charge	0
Average Mass	698.783
Monoisotopic Mass	698.32912
SMILES	C[C@@H]1CCCCO[C@H](CN(C)C(=O)c2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
InChI	InChI=1S/C37H45F3N4O6/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/h5-7,11-18,20,24-26,33,45H,8-10,19,21-23H2,1-4H3,(H2,41,42,48)/t24-,25-,26+,33+/m0/s1
InChIKey	APBVAIRGVGPFOM-GMNHBYEWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3R,9S,10S)-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-methylbenzamide (CHEBI:129712) is a azamacrocycle (CHEBI:52898)
	N-[[(3R,9S,10S)-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-methylbenzamide (CHEBI:129712) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41263	LINCS