5-oxidanylidene-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]pentanoic acid Openeye Name: 5-[4-(2-hydroxy-3-sulfo-propyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(2-hydroxy-3-sulfopropyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(2-hydroxy-3-sulfo-propyl)piperazino]-5-keto-valeric acid Formula: C12H22N2O7S MolecularWeight: 338.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CCCC(=O)O

InChI

InChI=1S/C12H22N2O7S/c15-10(9-22(19,20)21)8-13-4-6-14(7-5-13)11(16)2-1-3-12(17)18/h10,15H,1-9H2,(H,17,18)(H,19,20,21)