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CHEBI:95950 - (8S,9S)-9-[(dimethylamino)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:95950
ChEBI Name(8S,9S)-9-[(dimethylamino)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
FormulaC17H31N5O3
Net Charge0
Average Mass353.467
Monoisotopic Mass353.24269
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C17H31N5O3/c1-13-8-22(14(2)11-23)17(24)6-5-7-21-9-15(18-19-21)12-25-16(13)10-20(3)4/h9,13-14,16,23H,5-8,10-12H2,1-4H3/t13-,14+,16+/m0/s1
InChIKeyWAHUPRWPWKVPJH-SQWLQELKSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[(dimethylamino)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:95950) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[(dimethylamino)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:95950) is a lactam (CHEBI:24995)
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