CHEBI:106294 - (2S)-2-[(4S,5R)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)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-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:106294 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H34N4O4S Net Charge 0 Average Mass 510.650 Monoisotopic Mass 510.23008 InChI InChI=1S/C27H34N4O4S/c1-19-5-7-23(8-6-19)24-9-10-27-25(11-24)35-26(16-30(4)15-22-12-28-18-29-13-22)20(2)14-31(21(3)17-32)36(27,33)34/h5-13,18,20-21,26,32H,14-17H2,1-4H3/t20-,21-,26-/m0/s1 InChIKey HHBQEZHNSWTNJC-WOVHNISZSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C)O[C@H]1CN(C)CC4=CN=CN=C4)[C@@H](C)CO ChEBI Ontology Outgoing (2S)-2-[(4S,5R)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106294) is a toluenes (CHEBI:27024) Manual Xref Database LSM-17655 LINCS View more database links