EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127152 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:127152
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC28H30N4O6
Net Charge0
Average Mass518.570
Monoisotopic Mass518.21653
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCc4ccncc4)O[C@H](CO)[C@H]2O3)cc1
InChIInChI=1S/C28H30N4O6/c1-36-20-5-2-18(3-6-20)31-28(35)32-19-4-7-24-22(12-19)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-17-8-10-29-11-9-17/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23-,25-,27+/m1/s1
InChIKeyROVUQPAUMQSBIT-UFUIAINPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:127152) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-38713LINCS