[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O4/c1-15(2)20(24-22(28)23-17-8-6-5-7-9-17)21(27)29-14-19(26)25(4)18-12-10-16(3)11-13-18/h5-9,15-16,18,20H,10-14H2,1-4H3,(H2,23,24,28)/t16?,18?,20-/m0/s1