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CHEBI:129997 - 1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:129997
ChEBI Name1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC34H48F3N5O6
Net Charge0
Average Mass679.781
Monoisotopic Mass679.35567
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2
InChIInChI=1S/C34H48F3N5O6/c1-21(2)38-32(45)39-27-14-15-29-28(17-27)31(44)42(23(4)20-43)18-22(3)30(47-16-8-7-9-24(5)48-29)19-41(6)33(46)40-26-12-10-25(11-13-26)34(35,36)37/h10-15,17,21-24,30,43H,7-9,16,18-20H2,1-6H3,(H,40,46)(H2,38,39,45)/t22-,23+,24+,30-/m0/s1
InChIKeyIGYTWTPNUQKVPY-YTNVWYNJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:129997) is a azamacrocycle (CHEBI:52898)
1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:129997) is a lactam (CHEBI:24995)
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