N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:96238)

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CHEBI:96238 - N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide

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ChEBI ID	CHEBI:96238
ChEBI Name	N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
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Downloads	Molfile

Formula	C28H38N2O7S
Net Charge	0
Average Mass	546.686
Monoisotopic Mass	546.23997
SMILES	COc1cccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)C2CCOCC2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)c1
InChI	InChI=1S/C28H38N2O7S/c1-19-16-30(20(2)18-31)38(33,34)27-9-8-23(22-6-5-7-24(14-22)35-4)15-25(27)37-26(19)17-29(3)28(32)21-10-12-36-13-11-21/h5-9,14-15,19-21,26,31H,10-13,16-18H2,1-4H3/t19-,20+,26-/m0/s1
InChIKey	HDWGWTYDTDHGLT-UNVFRBQDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:96238) is a methoxybenzenes (CHEBI:51683)

Manual Xrefs	Databases
LSM-7617	LINCS