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CHEBI:95845 - (8R,9S)-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:95845
ChEBI Name(8R,9S)-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]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccc2c1OCCCO2
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-/m1/s1
InChIKeyATOJIXFYNQCGDG-YOSAUDMPSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-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:95845) is a azamacrocycle (CHEBI:52898)
(8R,9S)-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:95845) is a lactam (CHEBI:24995)
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