EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127749 - N-[[(2S,3R,4R)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide

ChEBI IDCHEBI:127749
ChEBI NameN-[[(2S,3R,4R)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
Stars
DownloadsMolfile
FormulaC23H25N3O3
Net Charge0
Average Mass391.471
Monoisotopic Mass391.18959
SMILESCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccc(C#N)c3)cc2)[C@H](CO)N1C(C)=O
InChIInChI=1S/C23H25N3O3/c1-15(28)25(3)13-21-23(22(14-27)26(21)16(2)29)19-9-7-18(8-10-19)20-6-4-5-17(11-20)12-24/h4-11,21-23,27H,13-14H2,1-3H3/t21-,22+,23-/m1/s1
InChIKeyJPEKQWMSQCEZSD-XPWALMASSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R,4R)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide (CHEBI:127749) is a biphenyls (CHEBI:22888)
N-[[(2S,3R,4R)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide (CHEBI:127749) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-39306LINCS