CHEBI:104651 - N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylcyclohexanecarboxamide

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ChEBI Name N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylcyclohexanecarboxamide
ChEBI ID CHEBI:104651
Stars This entity has been manually annotated by a third party.
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Formula C31H51N3O5
Net Charge 0
Average Mass 545.755
Monoisotopic Mass 545.38287
InChI InChI=1S/C31H51N3O5/c1-22-19-34(23(2)21-35)31(37)27-18-26(32(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-33(6)30(36)25-13-8-7-9-14-25/h15-16,18,22-25,29,35H,7-14,17,19-21H2,1-6H3/t22-,23-,24-,29-/m1/s1
InChIKey QUSLWNNTNFDPAB-RWJVBYDYSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3
ChEBI Ontology
Outgoing N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:104651) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:104651) is a lactam (CHEBI:24995)
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