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CHEBI:97018 - (8S,9R)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:97018
ChEBI Name(8S,9R)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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DownloadsMolfile
FormulaC26H39N5O5
Net Charge0
Average Mass501.628
Monoisotopic Mass501.29512
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc3c2OCCCO3)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C26H39N5O5/c1-19-13-31(20(2)17-32)25(33)9-5-10-30-15-22(27-28-30)18-36-24(19)16-29(3)14-21-7-4-8-23-26(21)35-12-6-11-34-23/h4,7-8,15,19-20,24,32H,5-6,9-14,16-18H2,1-3H3/t19-,20+,24-/m0/s1
InChIKeyATOJIXFYNQCGDG-ROKPMTFOSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9R)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:97018) is a azamacrocycle (CHEBI:52898)
(8S,9R)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:97018) is a lactam (CHEBI:24995)
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