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CHEBI:123697 - N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-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-methyl-4-pyridinecarboxamide

ChEBI IDCHEBI:123697
ChEBI NameN-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-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-methyl-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC30H44N4O5
Net Charge0
Average Mass540.705
Monoisotopic Mass540.33117
SMILESC[C@H]1CCCCO[C@@H](CN(C)C(=O)c2ccncc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C30H44N4O5/c1-21-18-34(22(2)20-35)30(37)26-17-25(32(4)5)10-11-27(26)39-23(3)9-7-8-16-38-28(21)19-33(6)29(36)24-12-14-31-15-13-24/h10-15,17,21-23,28,35H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,28-/m0/s1
InChIKeyBRKIAEBRDYHMFE-AMZZYFJHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-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-methyl-4-pyridinecarboxamide (CHEBI:123697) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-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-methyl-4-pyridinecarboxamide (CHEBI:123697) is a lactam (CHEBI:24995)
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