CHEBI:106796 - (3S,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

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ChEBI Name (3S,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
ChEBI ID CHEBI:106796
Stars This entity has been manually annotated by a third party.
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Formula C25H43N3O4
Net Charge 0
Average Mass 449.628
Monoisotopic Mass 449.32536
InChI InChI=1S/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19-,20-,24-/m0/s1
InChIKey PQNWFIFCFFWMJI-XHOYROJHSA-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
ChEBI Ontology
Outgoing (3S,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106796) is a azamacrocycle (CHEBI:52898)
(3S,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106796) is a lactam (CHEBI:24995)
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