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

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic 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)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(C)(C#N)C(C)C)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C20H28N4O4/c1-13(2)17(23-19(27)22-15-9-7-6-8-10-15)18(26)28-11-16(25)24-20(5,12-21)14(3)4/h6-10,13-14,17H,11H2,1-5H3,(H,24,25)(H2,22,23,27)/t17-,20-/m1/s1