2-[1-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylisoindol-2-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[1-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylisoindol-2-yl]-3-methyl-butanoic acid Openeye Name: 2-[1-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylisoindol-2-yl]-3-methyl-butanoic acid CAS Name: 2-[1-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2-isoindolyl]-3-methylbutanoic acid IUPAC Name: 2-[1-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylisoindol-2-yl]-3-methylbutanoic acid Traditional Name: 2-[1-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]isoindol-2-yl]-3-methyl-butyric acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C=C2C=CC=CC2=C1SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)O)N1C=C2C=CC=CC2=C1SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C18H22N2O5S/c1-10(2)15(18(24)25)20-8-12-6-4-5-7-13(12)16(20)26-9-14(17(22)23)19-11(3)21/h4-8,10,14-15H,9H2,1-3H3,(H,19,21)(H,22,23)(H,24,25)