2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-4-methyl-2-sulfanyl-pentanoic acid

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-4-methyl-2-sulfanyl-pentanoic acid Openeye Name: 2-[5-(1,3-dioxoisoindolin-2-yl)pentanoylamino]-4-methyl-2-sulfanyl-pentanoic acid CAS Name: 2-[[5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-2-mercapto-4-methylpentanoic acid IUPAC Name: 2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-4-methyl-2-sulfanylpentanoic acid Traditional Name: 2-mercapto-4-methyl-2-(5-phthalimidopentanoylamino)valeric acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)(NC(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)S

Isomeric SMILES

CC(C)CC(C(=O)O)(NC(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)S

InChI

InChI=1S/C19H24N2O5S/c1-12(2)11-19(27,18(25)26)20-15(22)9-5-6-10-21-16(23)13-7-3-4-8-14(13)17(21)24/h3-4,7-8,12,27H,5-6,9-11H2,1-2H3,(H,20,22)(H,25,26)