1-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:127962)

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CHEBI:127962 - 1-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]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]-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI ID	CHEBI:127962
ChEBI Name	1-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]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]-3-[4-(trifluoromethyl)phenyl]urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C36H45F3N4O7S
Net Charge	0
Average Mass	734.838
Monoisotopic Mass	734.29611
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)S(=O)(=O)c1ccccc1
InChI	InChI=1S/C36H45F3N4O7S/c1-24-21-43(25(2)23-44)34(45)31-20-29(41-35(46)40-28-15-13-27(14-16-28)36(37,38)39)17-18-32(31)50-26(3)10-8-9-19-49-33(24)22-42(4)51(47,48)30-11-6-5-7-12-30/h5-7,11-18,20,24-26,33,44H,8-10,19,21-23H2,1-4H3,(H2,40,41,46)/t24-,25-,26+,33-/m1/s1
InChIKey	ZUCJYVPDHBVELS-BEXWAKDESA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:127962) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:127962) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39518	LINCS