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CHEBI:103596 - N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:103596
ChEBI NameN-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC34H45N5O5
Net Charge0
Average Mass603.764
Monoisotopic Mass603.34207
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O
InChIInChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m0/s1
InChIKeyZCWFLIQXFDCFQH-FBIDWWCOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:103596) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:103596) is a lactam (CHEBI:24995)
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