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CHEBI:104779 - N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:104779
ChEBI NameN-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC35H52N4O5
Net Charge0
Average Mass608.824
Monoisotopic Mass608.39377
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1
InChIInChI=1S/C35H52N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-30(37-34(41)29-11-6-5-7-12-29)13-14-32(31)44-27(3)10-8-9-19-43-33(25)23-38(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,40H,5-12,19,21-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33-/m0/s1
InChIKeyFHYFYPZRCDKSKV-QTLXSIBASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:104779) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:104779) is a lactam (CHEBI:24995)
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