CHEBI:127768 - 1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone
ChEBI ID CHEBI:127768
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H29N3O2
Net Charge 0
Average Mass 379.496
Monoisotopic Mass 379.22598
InChI InChI=1S/C23H29N3O2/c27-16-21-23(19-9-2-1-3-10-19)20(15-25-13-17-6-4-7-17)26(21)22(28)12-18-8-5-11-24-14-18/h1-3,5,8-11,14,17,20-21,23,25,27H,4,6-7,12-13,15-16H2/t20-,21-,23+/m0/s1
InChIKey SGKWCGWZPXXLRV-QNWVGRARSA-N
SMILES C1CC(C1)CNC[C@H]2[C@H]([C@@H](N2C(=O)CC3=CN=CC=C3)CO)C4=CC=CC=C4
ChEBI Ontology
Outgoing 1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone (CHEBI:127768) is a azetidines (CHEBI:38777)
1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone (CHEBI:127768) is a benzenes (CHEBI:22712)
1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone (CHEBI:127768) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39325 LINCS
View more database links