2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(3-phthalimidopropanoylamino)butyric acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H18N2O5S/c1-24-9-7-12(16(22)23)17-13(19)6-8-18-14(20)10-4-2-3-5-11(10)15(18)21/h2-5,12H,6-9H2,1H3,(H,17,19)(H,22,23)