2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:113919)

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CHEBI:113919 - 2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

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ChEBI ID	CHEBI:113919
ChEBI Name	2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
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Formula	C24H37N3O5S
Net Charge	0
Average Mass	479.643
Monoisotopic Mass	479.24539
SMILES	CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O
InChI	InChI=1S/C24H37N3O5S/c1-7-8-9-10-20-11-12-23-21(13-20)32-22(15-26(6)24(29)16-25(4)5)18(2)14-27(19(3)17-28)33(23,30)31/h11-13,18-19,22,28H,7-8,14-17H2,1-6H3/t18-,19-,22-/m0/s1
InChIKey	BYBGYSIHVXXZCT-IPJJNNNSSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:113919) has functional parent α-amino acid (CHEBI:33704)
	2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:113919) is a organonitrogen compound (CHEBI:35352)
	2-(dimethylamino)-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:113919) is a organooxygen compound (CHEBI:36963)

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