CHEBI:101784 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide ChEBI ID CHEBI:101784 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H31N3O6 Net Charge 0 Average Mass 517.574 Monoisotopic Mass 517.22129 InChI InChI=1S/C29H31N3O6/c1-36-24-5-3-2-4-19(24)16-31-27(34)15-21-14-23-22-13-20(32-28(35)12-18-8-10-30-11-9-18)6-7-25(22)38-29(23)26(17-33)37-21/h2-11,13,21,23,26,29,33H,12,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,26+,29-/m1/s1 InChIKey ZGXOXQUBSYKGRY-MJMMSJOPSA-N SMILES COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5 ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:101784) is a furopyran (CHEBI:74927) Manual Xref Database LSM-13146 LINCS View more database links