CHEBI:119572 - N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide

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ChEBI Name N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide ChEBI ID CHEBI:119572 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H33N3O6S Net Charge 0 Average Mass 563.667 Monoisotopic Mass 563.20901 InChI InChI=1S/C30H33N3O6S/c1-21-18-33(22(2)20-34)40(36,37)29-15-12-24(9-8-23-10-13-25(38-4)14-11-23)17-27(29)39-28(21)19-32(3)30(35)26-7-5-6-16-31-26/h5-7,10-17,21-22,28,34H,18-20H2,1-4H3/t21-,22-,28-/m1/s1 InChIKey WYRLQFCCGHRJLO-DQCZWYHMSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)O[C@@H]1CN(C)C(=O)C4=CC=CC=N4)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide (CHEBI:119572) is a pyridinecarboxamide (CHEBI:25529) Manual Xref Database LSM-31019 LINCS View more database links