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CHEBI:92797 - 1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

ChEBI IDCHEBI:92797
ChEBI Name1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
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Last Modified3 March 2016
DownloadsMolfile
FormulaC37H50FN5O6S
Net Charge0
Average Mass711.901
Monoisotopic Mass711.34658
SMILESC[C@@H]1CN([C@@H](C)CN(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C37H50FN5O6S/c1-26-23-43(27(2)24-41(4)5)36(44)33-22-31(40-37(45)39-30-13-8-7-9-14-30)17-20-34(33)49-28(3)12-10-11-21-48-35(26)25-42(6)50(46,47)32-18-15-29(38)16-19-32/h7-9,13-20,22,26-28,35H,10-12,21,23-25H2,1-6H3,(H2,39,40,45)/t26-,27+,28+,35+/m1/s1
InChIKeyBKTXRPJVVXUPPO-PNCWTNKOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:92797) is a azamacrocycle (CHEBI:52898)
1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:92797) is a lactam (CHEBI:24995)
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