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CHEBI:96751 - (8S,9S)-9-[[1,3-benzodioxol-5-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:96751
ChEBI Name(8S,9S)-9-[[1,3-benzodioxol-5-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
FormulaC24H35N5O5
Net Charge0
Average Mass473.574
Monoisotopic Mass473.26382
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C24H35N5O5/c1-17-10-29(18(2)14-30)24(31)5-4-8-28-12-20(25-26-28)15-32-23(17)13-27(3)11-19-6-7-21-22(9-19)34-16-33-21/h6-7,9,12,17-18,23,30H,4-5,8,10-11,13-16H2,1-3H3/t17-,18+,23+/m0/s1
InChIKeyZLSVBQPGKZIPOU-YZZKKUAISA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[[1,3-benzodioxol-5-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:96751) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[[1,3-benzodioxol-5-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:96751) is a lactam (CHEBI:24995)
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