CHEBI:104845 - 4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

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ChEBI Name 4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
ChEBI ID CHEBI:104845
Stars This entity has been manually annotated by a third party.
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Formula C26H40F3N3O5
Net Charge 0
Average Mass 531.609
Monoisotopic Mass 531.29201
InChI InChI=1S/C26H40F3N3O5/c1-17-15-32(18(2)16-33)25(35)21-13-20(31-24(34)10-11-26(27,28)29)8-9-22(21)37-19(3)7-5-6-12-36-23(17)14-30-4/h8-9,13,17-19,23,30,33H,5-7,10-12,14-16H2,1-4H3,(H,31,34)/t17-,18+,19-,23+/m1/s1
InChIKey QBUCHBBMZJBUJI-KCESLBEFSA-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)CNC
ChEBI Ontology
Outgoing 4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104845) is a azamacrocycle (CHEBI:52898)
4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104845) is a lactam (CHEBI:24995)
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