CHEBI:129583 - 1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone ChEBI ID CHEBI:129583 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H36N2O2 Net Charge 0 Average Mass 396.566 Monoisotopic Mass 396.27768 InChI InChI=1S/C25H36N2O2/c1-2-24(29)27-22(16-26-15-18-7-6-8-18)25(23(27)17-28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h9,11-14,18,22-23,25-26,28H,2-8,10,15-17H2,1H3/t22-,23-,25-/m1/s1 InChIKey QTISZJALTBDTMO-VDKIKQQVSA-N SMILES CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=C(C=C2)C3=CCCCC3)CNCC4CCC4 ChEBI Ontology Outgoing 1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone (CHEBI:129583) is a azetidines (CHEBI:38777) 1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone (CHEBI:129583) is a benzenes (CHEBI:22712) 1-[(2S,3R,4S)-2-[(cyclobutylmethylamino)methyl]-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-azetidinyl]-1-propanone (CHEBI:129583) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-41134 LINCS View more database links