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

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ChEBI Name 4-[4-[(2S,3S)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile ChEBI ID CHEBI:127858 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 C25H25N3O3 Net Charge 0 Average Mass 415.485 Monoisotopic Mass 415.18959 InChI InChI=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 InChIKey QRUIMFSAEGDYOH-PKTZIBPZSA-N SMILES CC(=O)N1[C@@H]([C@@H](C12CN(C2)C(=O)C3CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)CO ChEBI Ontology Outgoing 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 Xref Database LSM-39414 LINCS View more database links