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CHEBI:125744 - (3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:125744
ChEBI Name(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-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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DownloadsMolfile
FormulaC28H47N3O4
Net Charge0
Average Mass489.701
Monoisotopic Mass489.35666
SMILESC[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C28H47N3O4/c1-20-16-31(21(2)19-32)28(33)25-15-24(29(4)5)12-13-26(25)35-22(3)9-7-8-14-34-27(20)18-30(6)17-23-10-11-23/h12-13,15,20-23,27,32H,7-11,14,16-19H2,1-6H3/t20-,21+,22+,27-/m0/s1
InChIKeyXAIVFDZMYNDCMN-HQKZVIGLSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:125744) is a azamacrocycle (CHEBI:52898)
(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:125744) is a lactam (CHEBI:24995)
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