methyl (2S)-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(4-phthalimidobutanoylamino)propionic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-29-22(28)18(14-15-8-3-2-4-9-15)23-19(25)12-7-13-24-20(26)16-10-5-6-11-17(16)21(24)27/h2-6,8-11,18H,7,12-14H2,1H3,(H,23,25)/t18-/m0/s1