2-[[2-acetamido-3-[1-(hydroxymethyl)piperazin-1-ium-1-yl]-3-oxidanylidene-propyl]sulfanylmethyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[2-acetamido-3-[1-(hydroxymethyl)piperazin-1-ium-1-yl]-3-oxidanylidene-propyl]sulfanylmethyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-[[2-acetamido-3-[1-(hydroxymethyl)piperazin-1-ium-1-yl]-3-oxo-propyl]sulfanylmethyl]-3-oxo-cyclopentanecarboxylic acid CAS Name: 2-[[[2-acetamido-3-[1-(hydroxymethyl)-1-piperazin-1-iumyl]-3-oxopropyl]thio]methyl]-3-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[2-acetamido-3-[1-(hydroxymethyl)piperazin-1-ium-1-yl]-3-oxopropyl]sulfanylmethyl]-3-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[[[2-acetamido-3-keto-3-(1-methylolpiperazin-1-ium-1-yl)propyl]thio]methyl]-3-keto-cyclopentanecarboxylic acid Formula: C17H28N3O6S+ MolecularWeight: 402.48572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1C(CCC1=O)C(=O)O)C(=O)[N+]2(CCNCC2)CO

Isomeric SMILES

CC(=O)NC(CSCC1C(CCC1=O)C(=O)O)C(=O)[N+]2(CCNCC2)CO

InChI

InChI=1S/C17H27N3O6S/c1-11(22)19-14(16(24)20(10-21)6-4-18-5-7-20)9-27-8-13-12(17(25)26)2-3-15(13)23/h12-14,18,21H,2-10H2,1H3,(H-,19,22,25,26)/p+1