[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C23H29N3O4/c1-5-17-11-9-10-16(4)21(17)25-19(27)14-30-22(28)20(15(2)3)26-23(29)24-18-12-7-6-8-13-18/h6-13,15,20H,5,14H2,1-4H3,(H,25,27)(H2,24,26,29)/t20-/m0/s1