CHEBI:103693 - 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]-N,4-dimethylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
ChEBI ID CHEBI:103693
Stars This entity has been manually annotated by a third party.
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Formula C27H36N2O6S2
Net Charge 0
Average Mass 548.718
Monoisotopic Mass 548.20148
InChI InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26-/m0/s1
InChIKey ZNXYRHHWSDGXHP-WOVHNISZSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:103693) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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