N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:130002)

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CHEBI:130002 - N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide

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ChEBI ID	CHEBI:130002
ChEBI Name	N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
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Formula	C26H31N3O5S
Net Charge	0
Average Mass	497.617
Monoisotopic Mass	497.19844
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CC2)Oc2cc(-c3cccc(C#N)c3)ccc2S1(=O)=O
InChI	InChI=1S/C26H31N3O5S/c1-17-14-29(18(2)16-30)35(32,33)25-10-9-22(21-6-4-5-19(11-21)13-27)12-23(25)34-24(17)15-28(3)26(31)20-7-8-20/h4-6,9-12,17-18,20,24,30H,7-8,14-16H2,1-3H3/t17-,18+,24+/m0/s1
InChIKey	RFBFKJWIMZCTJL-HOOSLVGPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:130002) is a benzenes (CHEBI:22712)
	N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:130002) is a nitrile (CHEBI:18379)

Manual Xrefs	Databases
LSM-41553	LINCS