3-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-5-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:96857)

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CHEBI:96857 - 3-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-5-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide

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ChEBI ID	CHEBI:96857
ChEBI Name	3-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-5-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
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Downloads	Molfile

Formula	C32H40N4O7S
Net Charge	0
Average Mass	624.760
Monoisotopic Mass	624.26177
SMILES	COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4cccc(C(=O)N(C)C)c4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C32H40N4O7S/c1-21-18-36(22(2)20-37)44(40,41)30-15-10-24(23-8-7-9-25(16-23)31(38)34(3)4)17-28(30)43-29(21)19-35(5)32(39)33-26-11-13-27(42-6)14-12-26/h7-17,21-22,29,37H,18-20H2,1-6H3,(H,33,39)/t21-,22+,29-/m0/s1
InChIKey	CBOPBGRHGQIOTR-KERYWQKISA-N

ChEBI Ontology

Outgoing Relation(s)
	3-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-5-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:96857) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-8236	LINCS