CHEBI:104757 - N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-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 Name N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-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 ID CHEBI:104757
Stars This entity has been manually annotated by a third party.
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Formula C28H44F3N3O5
Net Charge 0
Average Mass 559.662
Monoisotopic Mass 559.32331
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-/m1/s1
InChIKey IUWUHICBQVKRRR-FBROZUCGSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
ChEBI Ontology
Outgoing N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-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:104757) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-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:104757) is a lactam (CHEBI:24995)
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