CHEBI:96491 - N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide

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ChEBI Name N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide ChEBI ID CHEBI:96491 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H38N2O7S Net Charge 0 Average Mass 546.678 Monoisotopic Mass 546.23997 InChI InChI=1S/C28H38N2O7S/c1-19-16-30(20(2)18-31)38(33,34)27-9-8-23(22-6-5-7-24(14-22)35-4)15-25(27)37-26(19)17-29(3)28(32)21-10-12-36-13-11-21/h5-9,14-15,19-21,26,31H,10-13,16-18H2,1-4H3/t19-,20+,26+/m0/s1 InChIKey HDWGWTYDTDHGLT-OUDXUNEISA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)OC)O[C@@H]1CN(C)C(=O)C4CCOCC4)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:96491) is a methoxybenzenes (CHEBI:51683) Manual Xref Database LSM-7870 LINCS View more database links