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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2)C

InChI

InChI=1S/C23H28N2O5/c1-15(2)22(25-21(27)13-29-19-8-6-5-7-9-19)23(28)30-14-20(26)24-18-11-16(3)10-17(4)12-18/h5-12,15,22H,13-14H2,1-4H3,(H,24,26)(H,25,27)/t22-/m0/s1