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CHEBI:126513 - N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:126513
ChEBI NameN-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC27H36N2O7S2
Net Charge0
Average Mass564.726
Monoisotopic Mass564.19639
SMILESCOc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1
InChIInChI=1S/C27H36N2O7S2/c1-19-16-29(20(2)18-30)38(33,34)27-13-12-22(21-8-5-6-9-21)14-25(27)36-26(19)17-28(3)37(31,32)24-11-7-10-23(15-24)35-4/h7-8,10-15,19-20,26,30H,5-6,9,16-18H2,1-4H3/t19-,20-,26-/m0/s1
InChIKeyUASLWQYOELVMOC-DYLHXGEVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:126513) is a sulfonamide (CHEBI:35358)
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