N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:110148)

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CHEBI:110148 - N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide

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ChEBI ID	CHEBI:110148
ChEBI Name	N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
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Formula	C25H31FN2O5S
Net Charge	0
Average Mass	490.597
Monoisotopic Mass	490.19377
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O
InChI	InChI=1S/C25H31FN2O5S/c1-16-13-28(17(2)15-29)34(31,32)24-10-9-20(19-5-4-6-21(26)11-19)12-22(24)33-23(16)14-27(3)25(30)18-7-8-18/h4-6,9-12,16-18,23,29H,7-8,13-15H2,1-3H3/t16-,17+,23-/m0/s1
InChIKey	SBQRHQGOZJVRTE-MFEFFIJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide (CHEBI:110148) is a organofluorine compound (CHEBI:37143)

Manual Xrefs	Databases
LSM-21575	LINCS