CHEBI:95589 - (2S)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-(5-pyrimidinyl)-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-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:95589 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H36N4O5S Net Charge 0 Average Mass 588.719 Monoisotopic Mass 588.24064 InChI InChI=1S/C32H36N4O5S/c1-23-18-36(24(2)21-37)42(38,39)32-14-11-26(27-16-33-22-34-17-27)15-30(32)41-31(23)20-35(3)19-25-9-12-29(13-10-25)40-28-7-5-4-6-8-28/h4-17,22-24,31,37H,18-21H2,1-3H3/t23-,24-,31-/m0/s1 InChIKey JYEISQCWLZSNSR-MKGJDZFWSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CN=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:95589) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-6968 LINCS View more database links