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CHEBI:126805 - N-[(3S,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]benzenesulfonamide

ChEBI IDCHEBI:126805
ChEBI NameN-[(3S,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]benzenesulfonamide
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DownloadsMolfile
FormulaC35H45Cl2N3O6S
Net Charge0
Average Mass706.733
Monoisotopic Mass705.24061
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O
InChIInChI=1S/C35H45Cl2N3O6S/c1-24-20-40(25(2)23-41)35(42)30-19-28(38-47(43,44)29-11-6-5-7-12-29)14-16-33(30)46-26(3)10-8-9-17-45-34(24)22-39(4)21-27-13-15-31(36)32(37)18-27/h5-7,11-16,18-19,24-26,34,38,41H,8-10,17,20-23H2,1-4H3/t24-,25+,26-,34+/m0/s1
InChIKeyRXIJSVCALBVVES-QZCKSCMDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,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]benzenesulfonamide (CHEBI:126805) is a azamacrocycle (CHEBI:52898)
N-[(3S,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]benzenesulfonamide (CHEBI:126805) is a lactam (CHEBI:24995)
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