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

Systemtic Name: 2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-pentanoyl]-methyl-amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-acetylsulfanyl-5-(1,3-dioxoisoindolin-2-yl)pentanoyl]-methyl-amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-(acetylthio)-5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]-methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-acetylsulfanyl-5-(1,3-dioxoisoindol-2-yl)pentanoyl]-methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-(acetylthio)-5-phthalimido-pentanoyl]-methyl-amino]-3-mercapto-propionic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)N(C)C(CS)C(=O)O

Isomeric SMILES

CC(=O)SC(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)N(C)C(CS)C(=O)O

InChI

InChI=1S/C19H22N2O6S2/c1-11(22)29-15(18(25)20(2)14(10-28)19(26)27)8-5-9-21-16(23)12-6-3-4-7-13(12)17(21)24/h3-4,6-7,14-15,28H,5,8-10H2,1-2H3,(H,26,27)