2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:100894)

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CHEBI:100894 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

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ChEBI ID	CHEBI:100894
ChEBI Name	2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
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Downloads	Molfile

Formula	C29H32N2O7S
Net Charge	0
Average Mass	552.649
Monoisotopic Mass	552.19302
SMILES	COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCCc4ccccc4)O[C@H](CO)[C@H]2O3)c1
InChI	InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25-,27-,29+/m1/s1
InChIKey	AJAMEWYBAUQISK-AMOMVJEUSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:100894) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-12268	LINCS