[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC(=C1)C#N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)[C@@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H24N4O4/c1-14(2)19(26-22(29)25-17-9-5-4-6-10-17)21(28)30-15(3)20(27)24-18-11-7-8-16(12-18)13-23/h4-12,14-15,19H,1-3H3,(H,24,27)(H2,25,26,29)/t15-,19-/m1/s1