EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122949 - N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

ChEBI IDCHEBI:122949
ChEBI NameN-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Stars
DownloadsMolfile
FormulaC23H30N2O5
Net Charge0
Average Mass414.502
Monoisotopic Mass414.21547
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1
InChIInChI=1S/C23H30N2O5/c26-12-20-22-18(9-16(29-20)10-21(27)24-11-13-4-5-13)17-8-15(6-7-19(17)30-22)25-23(28)14-2-1-3-14/h6-8,13-14,16,18,20,22,26H,1-5,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,22+/m0/s1
InChIKeyRVCZJXOSFIZTQF-JXYHXMIBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:122949) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-34392LINCS