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CHEBI:126874 - 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]-4-pyridinecarboxamide

ChEBI IDCHEBI:126874
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]-4-pyridinecarboxamide
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Last Modified3 March 2016
DownloadsMolfile
FormulaC36H48N4O6
Net Charge0
Average Mass632.802
Monoisotopic Mass632.35739
SMILESCOc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C36H48N4O6/c1-25-21-40(26(2)24-41)36(43)32-20-30(38-35(42)29-15-17-37-18-16-29)11-14-33(32)46-27(3)8-6-7-19-45-34(25)23-39(4)22-28-9-12-31(44-5)13-10-28/h9-18,20,25-27,34,41H,6-8,19,21-24H2,1-5H3,(H,38,42)/t25-,26-,27+,34+/m0/s1
InChIKeySACXWSAQDFIOTK-NSWWAWACSA-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]-4-pyridinecarboxamide (CHEBI:126874) 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]-4-pyridinecarboxamide (CHEBI:126874) is a lactam (CHEBI:24995)
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