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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C23H28N2O4/c1-15(2)22(25-20(26)13-18-10-6-5-7-11-18)23(28)29-14-21(27)24-19-12-8-9-16(3)17(19)4/h5-12,15,22H,13-14H2,1-4H3,(H,24,27)(H,25,26)/t22-/m0/s1