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CHEBI:123099 - 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]cyclobutanecarboxamide

ChEBI IDCHEBI:123099
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]cyclobutanecarboxamide
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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)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C23H30N2O5/c26-12-20-22-18(9-16(29-20)10-21(27)24-11-13-4-5-13)17-8-15(6-7-19(17)30-22)25-23(28)14-2-1-3-14/h6-8,13-14,16,18,20,22,26H,1-5,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,22+/m1/s1
InChIKeyRVCZJXOSFIZTQF-ZLLBNUPZSA-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]cyclobutanecarboxamide (CHEBI:123099) is a furopyran (CHEBI:74927)
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