CHEBI:113947 - (2R)-2-[(4S,5S)-8-(2-methoxyphenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2R)-2-[(4S,5S)-8-(2-methoxyphenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:113947 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H40N2O6S Net Charge 0 Average Mass 532.694 Monoisotopic Mass 532.26071 InChI InChI=1S/C28H40N2O6S/c1-20-16-30(21(2)19-31)37(32,33)28-10-9-23(24-7-5-6-8-25(24)34-4)15-26(28)36-27(20)18-29(3)17-22-11-13-35-14-12-22/h5-10,15,20-22,27,31H,11-14,16-19H2,1-4H3/t20-,21+,27+/m0/s1 InChIKey XVNXZMOLFFKQAU-FYQCMVGJSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3OC)O[C@@H]1CN(C)CC4CCOCC4)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4S,5S)-8-(2-methoxyphenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:113947) is a methoxybenzenes (CHEBI:51683) Manual Xref Database LSM-25379 LINCS View more database links