4-[(4R,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:96412)

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CHEBI:96412 - 4-[(4R,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-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:96412
ChEBI Name	4-[(4R,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
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Formula	C29H39N3O6S
Net Charge	0
Average Mass	557.713
Monoisotopic Mass	557.25596
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2O[C@@H]1CN(C)C(=O)C1CCC1
InChI	InChI=1S/C29H39N3O6S/c1-19-16-32(20(2)18-33)39(36,37)27-14-13-24(21-9-11-23(12-10-21)28(34)30(3)4)15-25(27)38-26(19)17-31(5)29(35)22-7-6-8-22/h9-15,19-20,22,26,33H,6-8,16-18H2,1-5H3/t19-,20-,26-/m1/s1
InChIKey	SWUCWXMCDNCWDY-XMERXJNXSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-[(4R,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:96412) is a benzamides (CHEBI:22702)

Manual Xrefs	Databases
LSM-7791	LINCS