CHEBI:125939 - (2S)-2-[(4R,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI Name (2S)-2-[(4R,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:125939 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H37N3O5S Net Charge 0 Average Mass 587.731 Monoisotopic Mass 587.24539 InChI InChI=1S/C33H37N3O5S/c1-24-20-36(25(2)23-37)42(38,39)33-14-11-28(27-15-17-34-18-16-27)19-31(33)41-32(24)22-35(3)21-26-9-12-30(13-10-26)40-29-7-5-4-6-8-29/h4-19,24-25,32,37H,20-23H2,1-3H3/t24-,25+,32-/m1/s1 InChIKey KBDYTXJNXXZTGD-OVWOLCBMSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4R,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:125939) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-37506 LINCS View more database links