EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:117322 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:117322
ChEBI NameN-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC22H30N2O6
Net Charge0
Average Mass418.490
Monoisotopic Mass418.21039
SMILESCOCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C22H30N2O6/c1-28-7-6-23-20(26)11-15-10-17-16-9-14(24-21(27)8-13-2-3-13)4-5-18(16)30-22(17)19(12-25)29-15/h4-5,9,13,15,17,19,22,25H,2-3,6-8,10-12H2,1H3,(H,23,26)(H,24,27)/t15-,17+,19+,22-/m1/s1
InChIKeyHRBYSLULMJVYNQ-TXDFXGTJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117322) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-28771LINCS