[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5/c1-16(2)21(25-23(28)30-14-18-10-5-4-6-11-18)22(27)29-15-20(26)24-13-19-12-8-7-9-17(19)3/h4-12,16,21H,13-15H2,1-3H3,(H,24,26)(H,25,28)/t21-/m0/s1