methyl (2S)-2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(3-phthalimidobutanoylamino)propionic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-14(24-20(26)16-10-6-7-11-17(16)21(24)27)12-19(25)23-18(22(28)29-2)13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)/t14?,18-/m0/s1