3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea (CHEBI:126348)

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CHEBI:126348 - 3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:126348
ChEBI Name	3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H52F3N5O6
Net Charge	0
Average Mass	719.846
Monoisotopic Mass	719.38697
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O
InChI	InChI=1S/C37H52F3N5O6/c1-24-21-45(25(2)23-46)34(47)31-20-30(42-35(48)41-29-15-13-27(14-16-29)37(38,39)40)17-18-32(31)51-26(3)10-8-9-19-50-33(24)22-44(4)36(49)43-28-11-6-5-7-12-28/h13-18,20,24-26,28,33,46H,5-12,19,21-23H2,1-4H3,(H,43,49)(H2,41,42,48)/t24-,25+,26-,33-/m0/s1
InChIKey	MJLMJXYCUJDZRA-CEMVDLCSSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea (CHEBI:126348) is a azamacrocycle (CHEBI:52898)
	3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea (CHEBI:126348) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-37914	LINCS