N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:114019)

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CHEBI:114019 - N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-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:114019
ChEBI Name	N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-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	C28H30N4O5S
Net Charge	0
Average Mass	534.638
Monoisotopic Mass	534.19369
SMILES	C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C(=O)c1ccncc1
InChI	InChI=1S/C28H30N4O5S/c1-19-16-32(20(2)18-33)38(35,36)27-8-7-24(23-6-4-5-21(13-23)15-29)14-25(27)37-26(19)17-31(3)28(34)22-9-11-30-12-10-22/h4-14,19-20,26,33H,16-18H2,1-3H3/t19-,20-,26+/m0/s1
InChIKey	VWUCQBGGJOIZNN-CUVVAGTFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:114019) is a pyridinecarboxamide (CHEBI:25529)

Manual Xrefs	Databases
LSM-25451	LINCS