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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid phthalimidomethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-14(2)19(23-18(25)12-15-8-4-3-5-9-15)22(28)29-13-24-20(26)16-10-6-7-11-17(16)21(24)27/h3-11,14,19H,12-13H2,1-2H3,(H,23,25)/t19-/m0/s1