N-[[(4S,5S)-8-(4-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]-2-methoxy-N-methylacetamide (CHEBI:106352)

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CHEBI:106352 - N-[[(4S,5S)-8-(4-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]-2-methoxy-N-methylacetamide

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ChEBI ID	CHEBI:106352
ChEBI Name	N-[[(4S,5S)-8-(4-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]-2-methoxy-N-methylacetamide
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Formula	C25H31N3O6S
Net Charge	0
Average Mass	501.605
Monoisotopic Mass	501.19336
SMILES	COCC(=O)N(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C25H31N3O6S/c1-17-13-28(18(2)15-29)35(31,32)24-10-9-21(20-7-5-19(12-26)6-8-20)11-22(24)34-23(17)14-27(3)25(30)16-33-4/h5-11,17-18,23,29H,13-16H2,1-4H3/t17-,18-,23+/m0/s1
InChIKey	CUOJNPIZUFXRHX-IUKKYPGJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-(4-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:106352) is a benzenes (CHEBI:22712)
	N-[[(4S,5S)-8-(4-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:106352) is a nitrile (CHEBI:18379)

Manual Xrefs	Databases
LSM-17712	LINCS