N-[[(4R,5R)-8-(1-cyclohexenyl)-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-2-(3-pyridinyl)acetamide (CHEBI:126208)

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CHEBI:126208 - N-[[(4R,5R)-8-(1-cyclohexenyl)-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-2-(3-pyridinyl)acetamide

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ChEBI ID	CHEBI:126208
ChEBI Name	N-[[(4R,5R)-8-(1-cyclohexenyl)-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-2-(3-pyridinyl)acetamide
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Downloads	Molfile

Formula	C28H37N3O5S
Net Charge	0
Average Mass	527.687
Monoisotopic Mass	527.24539
SMILES	C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)Cc1cccnc1
InChI	InChI=1S/C28H37N3O5S/c1-20-17-31(21(2)19-32)37(34,35)27-12-11-24(23-9-5-4-6-10-23)15-25(27)36-26(20)18-30(3)28(33)14-22-8-7-13-29-16-22/h7-9,11-13,15-16,20-21,26,32H,4-6,10,14,17-19H2,1-3H3/t20-,21+,26+/m1/s1
InChIKey	INVIOEDNEQSFGP-SWYRRKHMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5R)-8-(1-cyclohexenyl)-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-2-(3-pyridinyl)acetamide (CHEBI:126208) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-37775	LINCS