EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121959 - (2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide

ChEBI IDCHEBI:121959
ChEBI Name(2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
Stars
DownloadsMolfile
FormulaC31H30N2O5
Net Charge0
Average Mass510.590
Monoisotopic Mass510.21547
SMILESCC(=O)n1cc([C@H]2C=C(C(=O)NCc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21
InChIInChI=1S/C31H30N2O5/c1-21(35)33-18-27(26-9-5-6-10-28(26)33)25-15-29(31(36)32-17-22-7-3-2-4-8-22)38-30(16-25)37-20-24-13-11-23(19-34)12-14-24/h2-15,18,25,30,34H,16-17,19-20H2,1H3,(H,32,36)/t25-,30+/m0/s1
InChIKeyHTBWZVXYGBAYPV-SETSBSEESA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CHEBI:121959) is a indoles (CHEBI:24828)
Manual XrefsDatabases
LSM-33402LINCS