CHEBI:130395 - 1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI Name 1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-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 ID CHEBI:130395 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H43F3N4O7S Net Charge 0 Average Mass 672.758 Monoisotopic Mass 672.28046 InChI InChI=1S/C31H43F3N4O7S/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-46(5,42)43)13-14-27(26)45-22(3)8-6-7-15-44-28(20)18-37(4)30(41)35-24-11-9-23(10-12-24)31(32,33)34/h9-14,16,20-22,28,36,39H,6-8,15,17-19H2,1-5H3,(H,35,41)/t20-,21-,22-,28-/m1/s1 InChIKey JQKHDUWQEWCERO-SOLZYKTISA-N SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F ChEBI Ontology Outgoing 1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-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:130395) is a azamacrocycle (CHEBI:52898) 1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-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:130395) is a lactam (CHEBI:24995) Manual Xref Database LSM-41944 LINCS View more database links Last Modified 03 March 2016