CHEBI:127388 - N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
ChEBI ID CHEBI:127388
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H27FN2O3
Net Charge 0
Average Mass 398.471
Monoisotopic Mass 398.20057
InChI InChI=1S/C23H27FN2O3/c1-3-21(28)26-19(22(20(26)15-27)16-9-6-5-7-10-16)14-25(4-2)23(29)17-11-8-12-18(24)13-17/h5-13,19-20,22,27H,3-4,14-15H2,1-2H3/t19-,20-,22-/m1/s1
InChIKey IEPBIIJIEGXQRE-KCZVDYSFSA-N
SMILES CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(CC)C(=O)C3=CC(=CC=C3)F
ChEBI Ontology
Outgoing N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide (CHEBI:127388) is a azetidines (CHEBI:38777)
N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide (CHEBI:127388) is a benzenes (CHEBI:22712)
N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide (CHEBI:127388) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38946 LINCS
View more database links