(2R)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119681)

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CHEBI:119681 - (2R)-2-[(4S,5S)-8-(1-cyclopentenyl)-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:119681
ChEBI Name	(2R)-2-[(4S,5S)-8-(1-cyclopentenyl)-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	C20H30N2O4S
Net Charge	0
Average Mass	394.537
Monoisotopic Mass	394.19263
SMILES	CNC[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C20H30N2O4S/c1-14-12-22(15(2)13-23)27(24,25)20-9-8-17(16-6-4-5-7-16)10-18(20)26-19(14)11-21-3/h6,8-10,14-15,19,21,23H,4-5,7,11-13H2,1-3H3/t14-,15+,19+/m0/s1
InChIKey	DIFJFYXOESTABI-QMTMVMCOSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:119681) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-31126	LINCS