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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(2-methylanilino)-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-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-15(2)21(24-19(25)13-17-10-5-4-6-11-17)22(27)28-14-20(26)23-18-12-8-7-9-16(18)3/h4-12,15,21H,13-14H2,1-3H3,(H,23,26)(H,24,25)/t21-/m0/s1