4-[(4S,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:96420)

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CHEBI:96420 - 4-[(4S,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:96420
ChEBI Name	4-[(4S,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](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2S1(=O)=O
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+/m0/s1
InChIKey	SWUCWXMCDNCWDY-OUDXUNEISA-N

ChEBI Ontology

Outgoing Relation(s)
	4-[(4S,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:96420) is a benzamides (CHEBI:22702)

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LSM-7799	LINCS