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CHEBI:125855 - N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]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]-4-methylbenzenesulfonamide

ChEBI IDCHEBI:125855
ChEBI NameN-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]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]-4-methylbenzenesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC35H46FN3O8S2
Net Charge0
Average Mass719.898
Monoisotopic Mass719.27104
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1
InChIInChI=1S/C35H46FN3O8S2/c1-24-9-14-30(15-10-24)48(42,43)37-29-13-18-33-32(20-29)35(41)39(26(3)23-40)21-25(2)34(46-19-7-6-8-27(4)47-33)22-38(5)49(44,45)31-16-11-28(36)12-17-31/h9-18,20,25-27,34,37,40H,6-8,19,21-23H2,1-5H3/t25-,26+,27-,34-/m0/s1
InChIKeyQVHOUQFQIBTSDR-FBTROWELSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]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]-4-methylbenzenesulfonamide (CHEBI:125855) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]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]-4-methylbenzenesulfonamide (CHEBI:125855) is a lactam (CHEBI:24995)
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