CHEBI:101127 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide ChEBI ID CHEBI:101127 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 C29H31N3O5 Net Charge 0 Average Mass 501.575 Monoisotopic Mass 501.22637 InChI InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24+,26+,29-/m0/s1 InChIKey XWECZACFMCVSEP-VFSPHUKHSA-N SMILES C[C@@H](C1=CC=CC=C1)NC(=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-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:101127) is a furopyran (CHEBI:74927) Manual Xref Database LSM-12496 LINCS View more database links