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CHEBI:95610 - N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide

ChEBI IDCHEBI:95610
ChEBI NameN-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC22H32N6O4
Net Charge0
Average Mass444.536
Monoisotopic Mass444.24850
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2ccncc2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C22H32N6O4/c1-16-11-28(17(2)14-29)21(30)5-4-10-27-12-19(24-25-27)15-32-20(16)13-26(3)22(31)18-6-8-23-9-7-18/h6-9,12,16-17,20,29H,4-5,10-11,13-15H2,1-3H3/t16-,17+,20-/m0/s1
InChIKeyNSEOCVGIAYKUAZ-QKLQHJQFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:95610) is a azamacrocycle (CHEBI:52898)
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:95610) is a lactam (CHEBI:24995)
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