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CHEBI:96844 - N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96844
ChEBI NameN-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC22H33N5O5S
Net Charge0
Average Mass479.603
Monoisotopic Mass479.22024
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C22H33N5O5S/c1-17-12-27(18(2)15-28)22(29)10-7-11-26-13-19(23-24-26)16-32-21(17)14-25(3)33(30,31)20-8-5-4-6-9-20/h4-6,8-9,13,17-18,21,28H,7,10-12,14-16H2,1-3H3/t17-,18+,21+/m0/s1
InChIKeyBDEMCWTZQNVVEU-WAOWUJCRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96844) is a azamacrocycle (CHEBI:52898)
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96844) is a lactam (CHEBI:24995)
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