N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide (CHEBI:95995)

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CHEBI:95995 - N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide

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ChEBI ID	CHEBI:95995
ChEBI Name	N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide
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Downloads	Molfile

Formula	C28H33N3O6S
Net Charge	0
Average Mass	539.654
Monoisotopic Mass	539.20901
SMILES	COc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChI	InChI=1S/C28H33N3O6S/c1-19-16-31(20(2)18-32)38(34,35)27-12-11-21(23-9-5-6-10-24(23)36-4)14-25(27)37-26(19)17-30(3)28(33)22-8-7-13-29-15-22/h5-15,19-20,26,32H,16-18H2,1-4H3/t19-,20-,26+/m1/s1
InChIKey	ZKVMCHGVVVSISB-KYTVRQNUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide (CHEBI:95995) has functional parent nicotinamide (CHEBI:17154)
	N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide (CHEBI:95995) is a pyridinecarboxamide (CHEBI:25529)

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