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CHEBI:130308 - 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-methoxybenzenesulfonamide

ChEBI IDCHEBI:130308
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-methoxybenzenesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC35H46FN3O9S2
Net Charge0
Average Mass735.897
Monoisotopic Mass735.26595
SMILESCOc1ccc(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/C35H46FN3O9S2/c1-24-21-39(25(2)23-40)35(41)32-20-28(37-49(42,43)30-16-12-29(46-5)13-17-30)11-18-33(32)48-26(3)8-6-7-19-47-34(24)22-38(4)50(44,45)31-14-9-27(36)10-15-31/h9-18,20,24-26,34,37,40H,6-8,19,21-23H2,1-5H3/t24-,25+,26-,34-/m0/s1
InChIKeyOTOHUSBCCBGSPA-OJQFFXEZSA-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-methoxybenzenesulfonamide (CHEBI:130308) 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-methoxybenzenesulfonamide (CHEBI:130308) is a lactam (CHEBI:24995)
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