(2S)-2-[(4R,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130003)

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CHEBI:130003 - (2S)-2-[(4R,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:130003
ChEBI Name	(2S)-2-[(4R,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C25H33FN2O4S
Net Charge	0
Average Mass	476.614
Monoisotopic Mass	476.21451
SMILES	C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)CC1CC1
InChI	InChI=1S/C25H33FN2O4S/c1-17-13-28(18(2)16-29)33(30,31)25-11-8-21(20-6-9-22(26)10-7-20)12-23(25)32-24(17)15-27(3)14-19-4-5-19/h6-12,17-19,24,29H,4-5,13-16H2,1-3H3/t17-,18+,24+/m1/s1
InChIKey	CNGAJTGATCBZHJ-YTZAWJCFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4R,5R)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130003) is a organofluorine compound (CHEBI:37143)

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