[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C23H28N2O5/c1-15(2)21(25-23(28)30-13-18-8-6-5-7-9-18)22(27)29-14-20(26)24-19-11-10-16(3)17(4)12-19/h5-12,15,21H,13-14H2,1-4H3,(H,24,26)(H,25,28)/t21-/m0/s1