N-[[(3R,9R,10S)-12-[(2S)-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]-N-methyl-2-phenylacetamide (CHEBI:130004)

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CHEBI:130004 - N-[[(3R,9R,10S)-12-[(2S)-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]-N-methyl-2-phenylacetamide

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ChEBI ID	CHEBI:130004
ChEBI Name	N-[[(3R,9R,10S)-12-[(2S)-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]-N-methyl-2-phenylacetamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C38H47F3N4O6
Net Charge	0
Average Mass	712.810
Monoisotopic Mass	712.34477
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
InChI	InChI=1S/C38H47F3N4O6/c1-25-22-45(26(2)24-46)36(48)32-21-31(43-37(49)42-30-15-13-29(14-16-30)38(39,40)41)17-18-33(32)51-27(3)10-8-9-19-50-34(25)23-44(4)35(47)20-28-11-6-5-7-12-28/h5-7,11-18,21,25-27,34,46H,8-10,19-20,22-24H2,1-4H3,(H2,42,43,49)/t25-,26-,27+,34-/m0/s1
InChIKey	UTVLUISVXZSARP-ZUDLYUOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3R,9R,10S)-12-[(2S)-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]-N-methyl-2-phenylacetamide (CHEBI:130004) is a azamacrocycle (CHEBI:52898)
	N-[[(3R,9R,10S)-12-[(2S)-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]-N-methyl-2-phenylacetamide (CHEBI:130004) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41555	LINCS