N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:130690)

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CHEBI:130690 - N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

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ChEBI ID	CHEBI:130690
ChEBI Name	N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
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Formula	C22H32N2O5S
Net Charge	0
Average Mass	436.574
Monoisotopic Mass	436.20319
SMILES	CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C22H32N2O5S/c1-15-12-24(16(2)14-25)30(27,28)22-10-9-19(18-7-5-6-8-18)11-20(22)29-21(15)13-23(4)17(3)26/h7,9-11,15-16,21,25H,5-6,8,12-14H2,1-4H3/t15-,16-,21+/m0/s1
InChIKey	MESVOQYCHQLEES-CKJXQJPGSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:130690) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-42239	LINCS