(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119515)

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CHEBI:119515 - (2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-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:119515
ChEBI Name	(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-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	C23H27FN2O4S
Net Charge	0
Average Mass	446.544
Monoisotopic Mass	446.16756
SMILES	CNC[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C23H27FN2O4S/c1-16-14-26(17(2)15-27)31(28,29)23-11-9-18(12-21(23)30-22(16)13-25-3)8-10-19-6-4-5-7-20(19)24/h4-7,9,11-12,16-17,22,25,27H,13-15H2,1-3H3/t16-,17+,22+/m1/s1
InChIKey	SJHPEWGCSFZDDK-JLHGSKIFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119515) is a organofluorine compound (CHEBI:37143)

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