(2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126574)

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CHEBI:126574 - (2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-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:126574
ChEBI Name	(2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C26H40N2O4S
Net Charge	0
Average Mass	476.683
Monoisotopic Mass	476.27088
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCCC1
InChI	InChI=1S/C26H40N2O4S/c1-19-15-28(20(2)18-29)33(30,31)26-13-12-23(22-10-6-7-11-22)14-24(26)32-25(19)17-27(3)16-21-8-4-5-9-21/h10,12-14,19-21,25,29H,4-9,11,15-18H2,1-3H3/t19-,20-,25+/m1/s1
InChIKey	WSZNVWRQIODTEG-FHAGJXEFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:126574) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-38138	LINCS