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CHEBI:96931 - 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-methyl-4-phenylbenzenesulfonamide

ChEBI IDCHEBI:96931
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-methyl-4-phenylbenzenesulfonamide
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DownloadsMolfile
FormulaC28H37N5O5S
Net Charge0
Average Mass555.701
Monoisotopic Mass555.25154
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C28H37N5O5S/c1-21-16-33(22(2)19-34)28(35)10-7-15-32-17-25(29-30-32)20-38-27(21)18-31(3)39(36,37)26-13-11-24(12-14-26)23-8-5-4-6-9-23/h4-6,8-9,11-14,17,21-22,27,34H,7,10,15-16,18-20H2,1-3H3/t21-,22+,27+/m0/s1
InChIKeyKKXDONJUIJKAIN-OREGWCPLSA-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-methyl-4-phenylbenzenesulfonamide (CHEBI:96931) 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-methyl-4-phenylbenzenesulfonamide (CHEBI:96931) is a lactam (CHEBI:24995)
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