[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-14(2)19(25-22(28)24-17-10-6-5-7-11-17)21(27)29-16(4)20(26)23-18-12-8-9-15(3)13-18/h5-14,16,19H,1-4H3,(H,23,26)(H2,24,25,28)/t16-,19-/m0/s1