N-[(3S,9R,10S)-12-[(2R)-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]methanesulfonamide (CHEBI:129392)

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CHEBI:129392 - N-[(3S,9R,10S)-12-[(2R)-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]methanesulfonamide

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ChEBI ID	CHEBI:129392
ChEBI Name	N-[(3S,9R,10S)-12-[(2R)-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]methanesulfonamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C31H44F3N3O6S
Net Charge	0
Average Mass	643.769
Monoisotopic Mass	643.29029
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O
InChI	InChI=1S/C31H44F3N3O6S/c1-21-17-37(22(2)20-38)30(39)27-16-26(35-44(5,40)41)13-14-28(27)43-23(3)8-6-7-15-42-29(21)19-36(4)18-24-9-11-25(12-10-24)31(32,33)34/h9-14,16,21-23,29,35,38H,6-8,15,17-20H2,1-5H3/t21-,22+,23-,29-/m0/s1
InChIKey	ORGCMGRUUGCKJF-OJNHJINQSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10S)-12-[(2R)-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]methanesulfonamide (CHEBI:129392) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10S)-12-[(2R)-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]methanesulfonamide (CHEBI:129392) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40943	LINCS