1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:127897)

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CHEBI:127897 - 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:127897
ChEBI Name	1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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	C37H47F3N4O8S
Net Charge	0
Average Mass	764.864
Monoisotopic Mass	764.30667
SMILES	COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C37H47F3N4O8S/c1-24-21-44(25(2)23-45)35(46)32-20-29(42-36(47)41-28-11-9-27(10-12-28)37(38,39)40)13-18-33(32)52-26(3)8-6-7-19-51-34(24)22-43(4)53(48,49)31-16-14-30(50-5)15-17-31/h9-18,20,24-26,34,45H,6-8,19,21-23H2,1-5H3,(H2,41,42,47)/t24-,25-,26+,34-/m1/s1
InChIKey	NIGUPTAEWCVCOQ-YUKNNVIKSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:127897) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-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:127897) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39453	LINCS