CHEBI:95514 - N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

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ChEBI Name N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide ChEBI ID CHEBI:95514 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H33N3O5S Net Charge 0 Average Mass 499.624 Monoisotopic Mass 499.21409 InChI InChI=1S/C26H33N3O5S/c1-18(2)6-7-21-8-9-25-23(14-21)34-24(16-28(5)26(31)22-10-12-27-13-11-22)19(3)15-29(20(4)17-30)35(25,32)33/h8-14,18-20,24,30H,15-17H2,1-5H3/t19-,20+,24-/m0/s1 InChIKey YTUJKVHLLCOJEP-ROKPMTFOSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC(C)C)O[C@H]1CN(C)C(=O)C3=CC=NC=C3)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:95514) is a pyridinecarboxamide (CHEBI:25529) Manual Xref Database LSM-6893 LINCS View more database links