EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127858 - 4-[4-[(2S,3S)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile

ChEBI IDCHEBI:127858
ChEBI Name4-[4-[(2S,3S)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
Stars
DownloadsMolfile
FormulaC25H25N3O3
Net Charge0
Average Mass415.493
Monoisotopic Mass415.18959
SMILESCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(=O)C1CC1)C2
InChIInChI=1S/C25H25N3O3/c1-16(30)28-22(13-29)23(25(28)14-27(15-25)24(31)21-10-11-21)20-8-6-19(7-9-20)18-4-2-17(12-26)3-5-18/h2-9,21-23,29H,10-11,13-15H2,1H3/t22-,23+/m1/s1
InChIKeyQRUIMFSAEGDYOH-PKTZIBPZSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(2S,3S)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile (CHEBI:127858) is a biphenyls (CHEBI:22888)
4-[4-[(2S,3S)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile (CHEBI:127858) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-39414LINCS