[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1CC(=O)N(C1)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC=CC=C2OC

InChI

InChI=1S/C20H25N3O5/c1-13(2)20(3,12-21)22-17(24)11-28-19(26)14-9-18(25)23(10-14)15-7-5-6-8-16(15)27-4/h5-8,13-14H,9-11H2,1-4H3,(H,22,24)/t14-,20+/m0/s1