EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130600 - N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide

ChEBI IDCHEBI:130600
ChEBI NameN-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
Stars
DownloadsMolfile
FormulaC23H30N2O4
Net Charge0
Average Mass398.503
Monoisotopic Mass398.22056
SMILESCOCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1
InChIInChI=1S/C23H30N2O4/c1-29-14-21(27)24-12-19-22(20(13-26)25(19)23(28)18-10-11-18)17-8-6-16(7-9-17)15-4-2-3-5-15/h4,6-9,18-20,22,26H,2-3,5,10-14H2,1H3,(H,24,27)/t19-,20+,22-/m1/s1
InChIKeyQFILKHAMRPHMJJ-RZUBCFFCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide (CHEBI:130600) is a azetidines (CHEBI:38777)
N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide (CHEBI:130600) is a benzenes (CHEBI:22712)
N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide (CHEBI:130600) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42149LINCS