1-[(3S,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]-3-(1-naphthalenyl)urea (CHEBI:126607)

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CHEBI:126607 - 1-[(3S,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]-3-(1-naphthalenyl)urea

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ChEBI ID	CHEBI:126607
ChEBI Name	1-[(3S,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]-3-(1-naphthalenyl)urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C41H49F3N4O5
Net Charge	0
Average Mass	734.860
Monoisotopic Mass	734.36551
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C41H49F3N4O5/c1-27-23-48(28(2)26-49)39(50)35-22-33(45-40(51)46-36-14-9-12-31-11-5-6-13-34(31)36)19-20-37(35)53-29(3)10-7-8-21-52-38(27)25-47(4)24-30-15-17-32(18-16-30)41(42,43)44/h5-6,9,11-20,22,27-29,38,49H,7-8,10,21,23-26H2,1-4H3,(H2,45,46,51)/t27-,28+,29+,38+/m1/s1
InChIKey	IOGICXGLCRDSGV-MWBBNKDSSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,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]-3-(1-naphthalenyl)urea (CHEBI:126607) is a azamacrocycle (CHEBI:52898)
	1-[(3S,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]-3-(1-naphthalenyl)urea (CHEBI:126607) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38170	LINCS