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CHEBI:126411 - N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide

ChEBI IDCHEBI:126411
ChEBI NameN-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide
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DownloadsMolfile
FormulaC38H51N3O6
Net Charge0
Average Mass645.841
Monoisotopic Mass645.37779
SMILESCOc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C38H51N3O6/c1-27-23-41(28(2)26-42)38(44)34-22-32(39-37(43)21-30-12-7-6-8-13-30)16-19-35(34)47-29(3)11-9-10-20-46-36(27)25-40(4)24-31-14-17-33(45-5)18-15-31/h6-8,12-19,22,27-29,36,42H,9-11,20-21,23-26H2,1-5H3,(H,39,43)/t27-,28-,29+,36+/m1/s1
InChIKeyPBMGKXVNCBHHBJ-JDJCDPLLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:126411) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:126411) is a lactam (CHEBI:24995)
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