EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110328 - 2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:110328
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC28H35N3O6
Net Charge0
Average Mass509.603
Monoisotopic Mass509.25259
SMILESCOc1ccc(CNC(=O)C[C@H]2C[C@H]3c4cc(NC(=O)NC5CCCC5)ccc4O[C@H]3[C@H](CO)O2)cc1
InChIInChI=1S/C28H35N3O6/c1-35-20-9-6-17(7-10-20)15-29-26(33)14-21-13-23-22-12-19(31-28(34)30-18-4-2-3-5-18)8-11-24(22)37-27(23)25(16-32)36-21/h6-12,18,21,23,25,27,32H,2-5,13-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23+,25+,27-/m1/s1
InChIKeyWDVMFXWGGYMVKP-WFHOOFKDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110328) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-21777LINCS