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CHEBI:123078 - N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:123078
ChEBI NameN-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC27H32N2O5
Net Charge0
Average Mass464.562
Monoisotopic Mass464.23112
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1
InChIInChI=1S/C27H32N2O5/c30-16-24-27-22(14-20(33-24)15-25(31)28-11-10-17-4-2-1-3-5-17)21-13-19(8-9-23(21)34-27)29-26(32)12-18-6-7-18/h1-5,8-9,13,18,20,22,24,27,30H,6-7,10-12,14-16H2,(H,28,31)(H,29,32)/t20-,22+,24-,27-/m1/s1
InChIKeyYWCZLJIWAJYPHK-YIPBLFEHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:123078) is a furopyran (CHEBI:74927)
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