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CHEBI:129550 - 4-chloro-N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-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:129550
ChEBI Name4-chloro-N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-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
FormulaC35H52ClN3O6S
Net Charge0
Average Mass678.336
Monoisotopic Mass677.32654
SMILESC[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
InChIInChI=1S/C35H52ClN3O6S/c1-25-21-39(26(2)24-40)35(41)32-20-30(37-46(42,43)31-16-13-29(36)14-17-31)15-18-33(32)45-27(3)10-8-9-19-44-34(25)23-38(4)22-28-11-6-5-7-12-28/h13-18,20,25-28,34,37,40H,5-12,19,21-24H2,1-4H3/t25-,26-,27-,34+/m0/s1
InChIKeyBXFZIXJRVHHTCE-CBUCOWSNSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chloro-N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-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:129550) is a azamacrocycle (CHEBI:52898)
4-chloro-N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-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:129550) is a lactam (CHEBI:24995)
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