[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H27N3O5/c1-14(2)21(26-22(29)19-8-6-5-7-15(19)3)23(30)31-13-20(28)25-18-11-9-17(10-12-18)24-16(4)27/h5-12,14,21H,13H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)/t21-/m0/s1