[(1R)-1-cyanoethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [(1R)-1-cyanoethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C#N)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

C[C@H](C#N)OC(=O)[C@H](C(C)C)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O4/c1-11(2)15(16(20)22-12(3)9-17)18-14(19)10-21-13-7-5-4-6-8-13/h4-8,11-12,15H,10H2,1-3H3,(H,18,19)/t12-,15+/m1/s1