N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide (CHEBI:123634)

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CHEBI:123634 - N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide

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ChEBI ID	CHEBI:123634
ChEBI Name	N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide
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Downloads	Molfile

Formula	C28H44F3N3O5
Net Charge	0
Average Mass	559.670
Monoisotopic Mass	559.32331
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O
InChI	InChI=1S/C28H44F3N3O5/c1-19-16-34(20(2)18-35)27(37)23-15-22(32(4)5)10-11-24(23)39-21(3)9-7-8-14-38-25(19)17-33(6)26(36)12-13-28(29,30)31/h10-11,15,19-21,25,35H,7-9,12-14,16-18H2,1-6H3/t19-,20+,21-,25-/m0/s1
InChIKey	IUWUHICBQVKRRR-PDFGSZSQSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide (CHEBI:123634) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide (CHEBI:123634) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-35076	LINCS