N-[[(4R,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]-2-methoxy-N-methylacetamide (CHEBI:110079)

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CHEBI:110079 - N-[[(4R,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]-2-methoxy-N-methylacetamide

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ChEBI ID	CHEBI:110079
ChEBI Name	N-[[(4R,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]-2-methoxy-N-methylacetamide
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Downloads	Molfile

Formula	C23H34N2O6S
Net Charge	0
Average Mass	466.600
Monoisotopic Mass	466.21376
SMILES	COCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C23H34N2O6S/c1-16-12-25(17(2)14-26)32(28,29)22-10-9-19(18-7-5-6-8-18)11-20(22)31-21(16)13-24(3)23(27)15-30-4/h7,9-11,16-17,21,26H,5-6,8,12-15H2,1-4H3/t16-,17+,21-/m1/s1
InChIKey	GOVSZGQIERTMRS-LLGFUMIMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,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]-2-methoxy-N-methylacetamide (CHEBI:110079) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-21506	LINCS