CHEBI:100779 - N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI Name N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide ChEBI ID CHEBI:100779 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 C28H34N2O6 Net Charge 0 Average Mass 494.580 Monoisotopic Mass 494.24169 InChI InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25+,27+/m1/s1 InChIKey ISBRQPNQXSURAN-DPQCAWRDSA-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)C5CCOCC5 ChEBI Ontology Outgoing N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:100779) is a furopyran (CHEBI:74927) Manual Xref Database LSM-12153 LINCS View more database links