CHEBI:96474 - N-[[(4S,5R)-8-(1-cyclohexenyl)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
ChEBI ID CHEBI:96474
Stars This entity has been manually annotated by a third party.
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Formula C28H38N2O7S2
Net Charge 0
Average Mass 578.744
Monoisotopic Mass 578.21204
InChI InChI=1S/C28H38N2O7S2/c1-20-17-30(21(2)19-31)39(34,35)28-14-13-23(22-9-6-5-7-10-22)15-26(28)37-27(20)18-29(3)38(32,33)25-12-8-11-24(16-25)36-4/h8-9,11-16,20-21,27,31H,5-7,10,17-19H2,1-4H3/t20-,21-,27-/m0/s1
InChIKey PIKMQEDGBFJLCE-IZVMNLJQSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:96474) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-7853 LINCS
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