N-[[(4R,5S)-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:96553)

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CHEBI:96553 - N-[[(4R,5S)-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 ID	CHEBI:96553
ChEBI Name	N-[[(4R,5S)-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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Downloads	Molfile

Formula	C26H33N3O5S
Net Charge	0
Average Mass	499.633
Monoisotopic Mass	499.21409
SMILES	CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
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-/m1/s1
InChIKey	YTUJKVHLLCOJEP-YOSAUDMPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5S)-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:96553) is a pyridinecarboxamide (CHEBI:25529)

Manual Xrefs	Databases
LSM-7932	LINCS