[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C20H25N3O6S/c1-12(2)10-21-20(28)22-16(24)11-29-19(27)15(8-9-30-3)23-17(25)13-6-4-5-7-14(13)18(23)26/h4-7,12,15H,8-11H2,1-3H3,(H2,21,22,24,28)