[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic 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] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C18H24N2O3/c1-5-15(14-9-7-6-8-10-14)17(22)23-11-16(21)20-18(4,12-19)13(2)3/h6-10,13,15H,5,11H2,1-4H3,(H,20,21)/t15-,18-/m1/s1