N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:130112)

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CHEBI:130112 - N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

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ChEBI ID	CHEBI:130112
ChEBI Name	N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H50F3N3O6
Net Charge	0
Average Mass	641.772
Monoisotopic Mass	641.36517
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)CCC(F)(F)F)ccc2O1
InChI	InChI=1S/C33H50F3N3O6/c1-22-19-39(23(2)21-40)32(43)27-18-26(37-30(41)15-16-33(34,35)36)13-14-28(27)45-24(3)10-8-9-17-44-29(22)20-38(4)31(42)25-11-6-5-7-12-25/h13-14,18,22-25,29,40H,5-12,15-17,19-21H2,1-4H3,(H,37,41)/t22-,23+,24-,29-/m1/s1
InChIKey	KYEITDZJNROELE-CDLOMYRSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:130112) is a azamacrocycle (CHEBI:52898)
	N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:130112) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41662	LINCS