(2S)-2-[(4R,5R)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106259)

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CHEBI:106259 - (2S)-2-[(4R,5R)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:106259
ChEBI Name	(2S)-2-[(4R,5R)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C23H34N2O4S
Net Charge	0
Average Mass	434.602
Monoisotopic Mass	434.22393
SMILES	CNC[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C23H34N2O4S/c1-17-15-25(18(2)16-26)30(27,28)23-12-11-20(10-9-19-7-5-4-6-8-19)13-21(23)29-22(17)14-24-3/h11-13,17-19,22,24,26H,4-8,14-16H2,1-3H3/t17-,18+,22+/m1/s1
InChIKey	PTEAFCJBUOPAHG-FGSXEWAUSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4R,5R)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106259) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-17620	LINCS