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CHEBI:98713 - N-[(2S,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

ChEBI IDCHEBI:98713
ChEBI NameN-[(2S,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC24H30N2O5S
Net Charge0
Average Mass458.580
Monoisotopic Mass458.18754
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H]2CO)cc1
InChIInChI=1S/C24H30N2O5S/c1-17-6-9-21(10-7-17)32(29,30)25-22-11-8-20(31-23(22)16-27)14-24(28)26-13-12-18-4-2-3-5-19(18)15-26/h2-7,9-10,20,22-23,25,27H,8,11-16H2,1H3/t20-,22+,23+/m0/s1
InChIKeyYSHLOQAWMNLOEI-MDNUFGMLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide (CHEBI:98713) is a C-glycosyl compound (CHEBI:20857)
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