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CHEBI:95426 - (8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-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:95426
ChEBI Name(8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-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
FormulaC25H37N5O5
Net Charge0
Average Mass487.601
Monoisotopic Mass487.27947
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCCO3)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C25H37N5O5/c1-18-12-30(19(2)16-31)25(32)5-4-8-29-14-21(26-27-29)17-35-24(18)15-28(3)13-20-6-7-22-23(11-20)34-10-9-33-22/h6-7,11,14,18-19,24,31H,4-5,8-10,12-13,15-17H2,1-3H3/t18-,19+,24+/m0/s1
InChIKeyDSHPDBIZJLDJKA-XLNZFTOWSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-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:95426) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[[2,3-dihydro-1,4-benzodioxin-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:95426) is a lactam (CHEBI:24995)
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