N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:94908)

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CHEBI:94908 - N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

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ChEBI ID	CHEBI:94908
ChEBI Name	N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H43F3N4O6
Net Charge	0
Average Mass	636.712
Monoisotopic Mass	636.31347
SMILES	C[C@@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1
InChI	InChI=1S/C32H43F3N4O6/c1-21-18-39(22(2)20-40)31(43)26-17-25(37-30(42)24-11-14-36-15-12-24)8-9-27(26)45-23(3)7-5-6-16-44-28(21)19-38(4)29(41)10-13-32(33,34)35/h8-9,11-12,14-15,17,21-23,28,40H,5-7,10,13,16,18-20H2,1-4H3,(H,37,42)/t21-,22+,23-,28-/m1/s1
InChIKey	MAHZWSVOOHLGKI-JTNFPWQOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:94908) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:94908) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-6127	LINCS