CHEBI:110012 - (2S)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:110012 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H36N2O4S Net Charge 0 Average Mass 460.631 Monoisotopic Mass 460.23958 InChI InChI=1S/C25H36N2O4S/c1-6-13-26(5)16-24-19(3)15-27(20(4)17-28)32(29,30)25-12-11-21(14-23(25)31-24)22-10-8-7-9-18(22)2/h7-12,14,19-20,24,28H,6,13,15-17H2,1-5H3/t19-,20-,24-/m0/s1 InChIKey OGNBHIXSMVQURJ-SKPFHBQLSA-N SMILES CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3C)[C@@H](C)CO)C ChEBI Ontology Outgoing (2S)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:110012) is a toluenes (CHEBI:27024) Manual Xref Database LSM-21439 LINCS View more database links