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CHEBI:123032 - N-[(1R,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:123032
ChEBI NameN-[(1R,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
DownloadsMolfile
FormulaC26H28N2O7
Net Charge0
Average Mass480.517
Monoisotopic Mass480.18965
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C26H28N2O7/c29-12-23-25-19(9-17(34-23)10-24(30)27-11-14-1-2-14)18-8-16(4-6-20(18)35-25)28-26(31)15-3-5-21-22(7-15)33-13-32-21/h3-8,14,17,19,23,25,29H,1-2,9-13H2,(H,27,30)(H,28,31)/t17-,19+,23-,25-/m1/s1
InChIKeyGLTVTIDBZPANQC-DFNUNTEISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:123032) is a furopyran (CHEBI:74927)
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