(2R)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:103784)

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CHEBI:103784 - (2R)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:103784
ChEBI Name	(2R)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Downloads	Molfile

Formula	C28H37N3O4S
Net Charge	0
Average Mass	511.688
Monoisotopic Mass	511.25048
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)CC1CCCC1
InChI	InChI=1S/C28H37N3O4S/c1-21-17-31(22(2)20-32)36(33,34)28-13-12-23(10-11-24-9-6-14-29-16-24)15-26(28)35-27(21)19-30(3)18-25-7-4-5-8-25/h6,9,12-16,21-22,25,27,32H,4-5,7-8,17-20H2,1-3H3/t21-,22-,27+/m1/s1
InChIKey	VXDFRUAWHFSTRR-LOYIFYEOSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:103784) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-15128	LINCS