[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2-aminocarbonylphenoxy)ethanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2-aminocarbonylphenoxy)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(2-carbamoylphenoxy)acetate CAS Name: 2-(2-carbamoylphenoxy)acetic 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] 2-(2-carbamoylphenoxy)acetate Traditional Name: 2-(2-carbamoylphenoxy)acetic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)COC1=CC=CC=C1C(=O)N

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)COC1=CC=CC=C1C(=O)N

InChI

InChI=1S/C17H21N3O5/c1-11(2)17(3,10-18)20-14(21)8-25-15(22)9-24-13-7-5-4-6-12(13)16(19)23/h4-7,11H,8-9H2,1-3H3,(H2,19,23)(H,20,21)/t17-/m1/s1