(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-phthalimido-butyric acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C1=CC=CC=C1)C(=O)N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C1=CC=CC=C1)C(=O)N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5/c1-12(2)16(23-19(25)14-10-6-7-11-15(14)20(23)26)21(27)28-17(18(22)24)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3,(H2,22,24)/t16-,17?/m0/s1