[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC(=C1)C#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O5/c1-15(2)21(26-20(27)14-30-19-10-5-4-6-11-19)23(29)31-16(3)22(28)25-18-9-7-8-17(12-18)13-24/h4-12,15-16,21H,14H2,1-3H3,(H,25,28)(H,26,27)/t16-,21+/m1/s1