[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C22H27N3O4/c1-14(2)20(25-22(28)24-17-8-6-5-7-9-17)21(27)29-13-19(26)23-18-11-15(3)10-16(4)12-18/h5-12,14,20H,13H2,1-4H3,(H,23,26)(H2,24,25,28)/t20-/m0/s1