[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCOC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCOC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O5/c1-16(2)20(25-22(28)24-17-9-5-3-6-10-17)21(27)30-15-19(26)23-13-14-29-18-11-7-4-8-12-18/h3-12,16,20H,13-15H2,1-2H3,(H,23,26)(H2,24,25,28)/t20-/m0/s1