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

Systemtic Name: methyl (2S)-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(4-phthalimidobutanoylamino)butyric acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H22N2O5S/c1-25-18(24)14(9-11-26-2)19-15(21)8-5-10-20-16(22)12-6-3-4-7-13(12)17(20)23/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,19,21)/t14-/m0/s1