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CHEBI:126035 - N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:126035
ChEBI NameN-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]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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Last Modified3 March 2016
DownloadsMolfile
FormulaC34H43N5O6
Net Charge0
Average Mass617.747
Monoisotopic Mass617.32133
SMILESC[C@H]1CCCCO[C@H](CN(C)C(=O)c2ccncc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1
InChIInChI=1S/C34H43N5O6/c1-23-20-39(24(2)22-40)34(43)29-19-28(37-32(41)26-10-14-35-15-11-26)8-9-30(29)45-25(3)7-5-6-18-44-31(23)21-38(4)33(42)27-12-16-36-17-13-27/h8-17,19,23-25,31,40H,5-7,18,20-22H2,1-4H3,(H,37,41)/t23-,24-,25-,31+/m0/s1
InChIKeyINBITKGVNBCCNN-QNBZCSHPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:126035) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:126035) is a lactam (CHEBI:24995)
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