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CHEBI:123745 - 1-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:123745
ChEBI Name1-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC33H47FN4O5
Net Charge0
Average Mass598.760
Monoisotopic Mass598.35305
SMILESC[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
InChIInChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24+,31-/m0/s1
InChIKeySTYUMYTXFXXJJW-WLCCTRHUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(4-fluorophenyl)urea (CHEBI:123745) is a azamacrocycle (CHEBI:52898)
1-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(4-fluorophenyl)urea (CHEBI:123745) is a lactam (CHEBI:24995)
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