tert-butyl 2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[[2-acetylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)pentanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-(acetylthio)-5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-acetylsulfanyl-5-(1,3-dioxoisoindol-2-yl)pentanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(acetylthio)-5-phthalimido-pentanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)SC(=O)C

InChI

InChI=1S/C25H34N2O6S/c1-15(2)14-19(24(32)33-25(4,5)6)26-21(29)20(34-16(3)28)12-9-13-27-22(30)17-10-7-8-11-18(17)23(27)31/h7-8,10-11,15,19-20H,9,12-14H2,1-6H3,(H,26,29)