(2S)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130122)

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CHEBI:130122 - (2S)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]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:130122
ChEBI Name	(2S)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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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)Cc1cccnc1
InChI	InChI=1S/C26H35N3O4S/c1-19-15-29(20(2)18-30)34(31,32)26-11-10-23(22-8-4-5-9-22)13-24(26)33-25(19)17-28(3)16-21-7-6-12-27-14-21/h6-8,10-14,19-20,25,30H,4-5,9,15-18H2,1-3H3/t19-,20-,25+/m0/s1
InChIKey	IHFFRSOEPCPNSF-ZYLNGJIFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130122) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-41672	LINCS