2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-acetylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(acetylthio)-5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-acetylsulfanyl-5-(1,3-dioxoisoindol-2-yl)pentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(acetylthio)-5-phthalimido-pentanoyl]amino]-4-methyl-valeric acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-12(2)11-16(21(28)29)22-18(25)17(30-13(3)24)9-6-10-23-19(26)14-7-4-5-8-15(14)20(23)27/h4-5,7-8,12,16-17H,6,9-11H2,1-3H3,(H,22,25)(H,28,29)