EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101694 - 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide

ChEBI IDCHEBI:101694
ChEBI Name2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
Stars
DownloadsMolfile
FormulaC22H27N3O6S
Net Charge0
Average Mass461.540
Monoisotopic Mass461.16206
SMILESCOc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NCCc3ccncc3)O[C@@H]2CO)cc1
InChIInChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21+/m0/s1
InChIKeySKMIIEGWSYGYOW-SESVDKBCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:101694) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-13057LINCS