[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC(C)C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC(C)C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-16(2)21(24-30(27,28)19-12-8-5-9-13-19)22(26)29-15-20(25)23-14-17(3)18-10-6-4-7-11-18/h4-13,16-17,21,24H,14-15H2,1-3H3,(H,23,25)/t17?,21-/m0/s1