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CHEBI:129250 - N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:129250
ChEBI NameN-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide
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Last Modified3 March 2016
DownloadsMolfile
FormulaC34H47N3O7S2
Net Charge0
Average Mass673.898
Monoisotopic Mass673.28554
SMILESCOc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C34H47N3O7S2/c1-24-20-37(25(2)23-38)34(39)30-19-28(35-46(40,41)33-10-8-18-45-33)13-16-31(30)44-26(3)9-6-7-17-43-32(24)22-36(4)21-27-11-14-29(42-5)15-12-27/h8,10-16,18-19,24-26,32,35,38H,6-7,9,17,20-23H2,1-5H3/t24-,25-,26+,32+/m0/s1
InChIKeyURUYPBZFUNKRKA-KYFCECMNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide (CHEBI:129250) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-thiophenesulfonamide (CHEBI:129250) is a lactam (CHEBI:24995)
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