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CHEBI:129098 - N-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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-methoxybenzenesulfonamide

ChEBI IDCHEBI:129098
ChEBI NameN-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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-methoxybenzenesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC36H47Cl2N3O7S
Net Charge0
Average Mass736.759
Monoisotopic Mass735.25118
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1
InChIInChI=1S/C36H47Cl2N3O7S/c1-24-20-41(25(2)23-42)36(43)31-19-28(39-49(44,45)30-13-11-29(46-5)12-14-30)10-16-34(31)48-26(3)8-6-7-17-47-35(24)22-40(4)21-27-9-15-32(37)33(38)18-27/h9-16,18-19,24-26,35,39,42H,6-8,17,20-23H2,1-5H3/t24-,25+,26+,35+/m0/s1
InChIKeyRFHYGNYQOWNNBL-LFINAOHFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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-methoxybenzenesulfonamide (CHEBI:129098) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-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-methoxybenzenesulfonamide (CHEBI:129098) is a lactam (CHEBI:24995)
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