4-(4-methylpiperazin-1-yl)-4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]butanoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]butanoic acid Openeye Name: 3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-4-(4-methylpiperazino)butyric acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(CC(=O)O)C(=O)N1CCN(CC1)C

Isomeric SMILES

CC(C(=O)O)SCC(CC(=O)O)C(=O)N1CCN(CC1)C

InChI

InChI=1S/C13H22N2O5S/c1-9(13(19)20)21-8-10(7-11(16)17)12(18)15-5-3-14(2)4-6-15/h9-10H,3-8H2,1-2H3,(H,16,17)(H,19,20)