[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4/c1-15(2)18-12-8-9-13-19(18)25-20(27)14-30-22(28)21(16(3)4)26-23(29)24-17-10-6-5-7-11-17/h5-13,15-16,21H,14H2,1-4H3,(H,25,27)(H2,24,26,29)/t21-/m0/s1