[(2R,3S)-2-cyano-4-methyl-3-oxidanyl-2-(2-phenylethanoylamino)pentyl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3S)-2-cyano-4-methyl-3-oxidanyl-2-(2-phenylethanoylamino)pentyl] 2,2-dimethylpropanoate Openeye Name: [(2R,3S)-2-cyano-3-hydroxy-4-methyl-2-[(2-phenylacetyl)amino]pentyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3S)-2-cyano-3-hydroxy-4-methyl-2-[(1-oxo-2-phenylethyl)amino]pentyl] ester IUPAC Name: [(2R,3S)-2-cyano-3-hydroxy-4-methyl-2-[(2-phenylacetyl)amino]pentyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3S)-2-cyano-3-hydroxy-4-methyl-2-[(2-phenylacetyl)amino]pentyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(COC(=O)C(C)(C)C)(C#N)NC(=O)CC1=CC=CC=C1)O

Isomeric SMILES

CC(C)[C@@H]([C@](COC(=O)C(C)(C)C)(C#N)NC(=O)CC1=CC=CC=C1)O

InChI

InChI=1S/C20H28N2O4/c1-14(2)17(24)20(12-21,13-26-18(25)19(3,4)5)22-16(23)11-15-9-7-6-8-10-15/h6-10,14,17,24H,11,13H2,1-5H3,(H,22,23)/t17-,20+/m0/s1