2-[(2S,3R)-3-azanyl-4-(2,5-dimethylphenyl)-2-oxidanyl-butyl]-N-tert-butyl-pyridine-3-carboxamide

Systemtic Name: 2-[(2S,3R)-3-azanyl-4-(2,5-dimethylphenyl)-2-oxidanyl-butyl]-N-tert-butyl-pyridine-3-carboxamide Openeye Name: 2-[(2S,3R)-3-amino-4-(2,5-dimethylphenyl)-2-hydroxy-butyl]-N-tert-butyl-pyridine-3-carboxamide CAS Name: 2-[(2S,3R)-3-amino-4-(2,5-dimethylphenyl)-2-hydroxybutyl]-N-tert-butyl-3-pyridinecarboxamide IUPAC Name: 2-[(2S,3R)-3-amino-4-(2,5-dimethylphenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide Traditional Name: 2-[(2S,3R)-3-amino-4-(2,5-dimethylphenyl)-2-hydroxy-butyl]-N-tert-butyl-nicotinamide Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC(C(CC2=C(C=CC=N2)C(=O)NC(C)(C)C)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[C@H]([C@H](CC2=C(C=CC=N2)C(=O)NC(C)(C)C)O)N

InChI

InChI=1S/C22H31N3O2/c1-14-8-9-15(2)16(11-14)12-18(23)20(26)13-19-17(7-6-10-24-19)21(27)25-22(3,4)5/h6-11,18,20,26H,12-13,23H2,1-5H3,(H,25,27)/t18-,20+/m1/s1