EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102964 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:102964
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC19H26N2O6S
Net Charge0
Average Mass410.492
Monoisotopic Mass410.15116
SMILESCS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17+,19-/m1/s1
InChIKeyYSCGDHRCRJHNHR-FDZBUTDGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:102964) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-14310LINCS