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CHEBI:95657 - N-[[(4S,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 IDCHEBI:95657
ChEBI NameN-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC26H33N3O5S
Net Charge0
Average Mass499.633
Monoisotopic Mass499.21409
SMILESCC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H33N3O5S/c1-18(2)6-7-21-8-9-25-23(14-21)34-24(16-28(5)26(31)22-10-12-27-13-11-22)19(3)15-29(20(4)17-30)35(25,32)33/h8-14,18-20,24,30H,15-17H2,1-5H3/t19-,20+,24+/m0/s1
InChIKeyYTUJKVHLLCOJEP-DCLXLUIPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:95657) is a pyridinecarboxamide (CHEBI:25529)
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