[(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [(1R)-1-cyanoethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-12(10-17)22-16(20)14(8-9-23-2)18-15(19)11-21-13-6-4-3-5-7-13/h3-7,12,14H,8-9,11H2,1-2H3,(H,18,19)/t12-,14+/m1/s1