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CHEBI:130805 - 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:130805
ChEBI Name1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC38H46F6N4O5
Net Charge0
Average Mass752.797
Monoisotopic Mass752.33724
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C38H46F6N4O5/c1-24-20-48(25(2)23-49)35(50)32-19-31(46-36(51)45-30-14-12-29(13-15-30)38(42,43)44)16-17-33(32)53-26(3)7-5-6-18-52-34(24)22-47(4)21-27-8-10-28(11-9-27)37(39,40)41/h8-17,19,24-26,34,49H,5-7,18,20-23H2,1-4H3,(H2,45,46,51)/t24-,25-,26+,34-/m1/s1
InChIKeyCZGXFYZCYNDJOB-YUKNNVIKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:130805) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:130805) is a lactam (CHEBI:24995)
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