[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=CC=C1C#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=CC=C1C#N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5/c1-14(23-19(25)13-28-17-9-4-3-5-10-17)21(27)29-15(2)20(26)24-18-11-7-6-8-16(18)12-22/h3-11,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)/t14-,15+/m0/s1