EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97404 - N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)acetamide

ChEBI IDCHEBI:97404
ChEBI NameN-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)acetamide
Stars
DownloadsMolfile
FormulaC27H33N3O5
Net Charge0
Average Mass479.577
Monoisotopic Mass479.24202
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22+,24-,27-/m1/s1
InChIKeyAJOHYGOUUFRWKL-YIPBLFEHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)acetamide (CHEBI:97404) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-8783LINCS