CHEBI:104620 - 1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2R)-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]urea

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ChEBI Name 1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2R)-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]urea
ChEBI ID CHEBI:104620
Stars This entity has been manually annotated by a third party.
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Formula C29H41FN4O5
Net Charge 0
Average Mass 544.659
Monoisotopic Mass 544.30610
InChI InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20+,21+,27-/m0/s1
InChIKey QNMRQELCDYNENZ-XTYKIWRDSA-N
SMILES C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CNC
ChEBI Ontology
Outgoing 1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2R)-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]urea (CHEBI:104620) is a azamacrocycle (CHEBI:52898)
1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2R)-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]urea (CHEBI:104620) is a lactam (CHEBI:24995)
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