(2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119527)

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CHEBI:119527 - (2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:119527
ChEBI Name	(2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Downloads	Molfile

Formula	C28H35N3O5S
Net Charge	0
Average Mass	525.671
Monoisotopic Mass	525.22974
SMILES	COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)Cc2ccncc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1
InChI	InChI=1S/C28H35N3O5S/c1-20-16-31(21(2)19-32)37(33,34)28-9-8-24(23-6-5-7-25(14-23)35-4)15-26(28)36-27(20)18-30(3)17-22-10-12-29-13-11-22/h5-15,20-21,27,32H,16-19H2,1-4H3/t20-,21+,27-/m1/s1
InChIKey	RUWJTSGBQQPZMY-PBDKAQRYSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119527) is a methoxybenzenes (CHEBI:51683)

Manual Xrefs	Databases
LSM-30974	LINCS