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CHEBI:102603 - N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:102603
ChEBI NameN-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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DownloadsMolfile
FormulaC23H30N2O5
Net Charge0
Average Mass414.502
Monoisotopic Mass414.21547
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,23+/m1/s1
InChIKeyWARQVQDGSWZACN-WVVHNUNQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:102603) is a furopyran (CHEBI:74927)
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