5-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(2-mercapto-2-methylpropyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(2-methyl-2-sulfanylpropyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(2-mercapto-2-methyl-propyl)piperazino]valeric acid Formula: C13H24N2O3S MolecularWeight: 288.40626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C(=O)CCCC(=O)O)S

Isomeric SMILES

CC(C)(CN1CCN(CC1)C(=O)CCCC(=O)O)S

InChI

InChI=1S/C13H24N2O3S/c1-13(2,19)10-14-6-8-15(9-7-14)11(16)4-3-5-12(17)18/h19H,3-10H2,1-2H3,(H,17,18)