(2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127330)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:127330 - (2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

Take structure to advanced search

ChEBI ID	CHEBI:127330
ChEBI Name	(2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
Stars
Downloads	Molfile

Formula	C26H35N3O4S
Net Charge	0
Average Mass	485.650
Monoisotopic Mass	485.23483
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccncc1
InChI	InChI=1S/C26H35N3O4S/c1-19-15-29(20(2)18-30)34(31,32)26-9-8-23(22-6-4-5-7-22)14-24(26)33-25(19)17-28(3)16-21-10-12-27-13-11-21/h6,8-14,19-20,25,30H,4-5,7,15-18H2,1-3H3/t19-,20-,25+/m1/s1
InChIKey	PLEKMPAXHSMPRR-FHAGJXEFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127330) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-38889	LINCS