CHEBI:117853 - N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]-4,4,4-trifluorobutanamide

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ChEBI Name N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]-4,4,4-trifluorobutanamide
ChEBI ID CHEBI:117853
Stars This entity has been manually annotated by a third party.
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Formula C27H42F3N3O5
Net Charge 0
Average Mass 545.636
Monoisotopic Mass 545.30766
InChI InChI=1S/C27H42F3N3O5/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-25(35)11-12-27(28,29)30)9-10-23(22)38-20(3)8-6-7-13-37-24(18)16-32(4)5/h9-10,14,18-20,24,34H,6-8,11-13,15-17H2,1-5H3,(H,31,35)/t18-,19-,20+,24+/m0/s1
InChIKey JFWSYQFTTWMPPF-PWSZPPJVSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C
ChEBI Ontology
Outgoing N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]-4,4,4-trifluorobutanamide (CHEBI:117853) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]-4,4,4-trifluorobutanamide (CHEBI:117853) is a lactam (CHEBI:24995)
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