(2R)-2-[(4R,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130758)

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CHEBI:130758 - (2R)-2-[(4R,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:130758
ChEBI Name	(2R)-2-[(4R,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Downloads	Molfile

Formula	C33H37N3O5S
Net Charge	0
Average Mass	587.742
Monoisotopic Mass	587.24539
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChI	InChI=1S/C33H37N3O5S/c1-24-20-36(25(2)23-37)42(38,39)33-14-11-28(27-15-17-34-18-16-27)19-31(33)41-32(24)22-35(3)21-26-9-12-30(13-10-26)40-29-7-5-4-6-8-29/h4-19,24-25,32,37H,20-23H2,1-3H3/t24-,25-,32+/m1/s1
InChIKey	KBDYTXJNXXZTGD-VJQVOXFUSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4R,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130758) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-42307	LINCS