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CHEBI:106745 - (3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:106745
ChEBI Name(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
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DownloadsMolfile
FormulaC30H46N4O4
Net Charge0
Average Mass526.722
Monoisotopic Mass526.35191
SMILESC[C@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,29-/m0/s1
InChIKeyZQLCRBSTGDSWQO-UITIVDIESA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106745) is a azamacrocycle (CHEBI:52898)
(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106745) is a lactam (CHEBI:24995)
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