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

Systemtic Name: 2-[[2-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-3-oxidanylidene-propyl]sulfanylmethyl]-3-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 2-[[2-acetamido-3-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-3-oxo-propyl]sulfanylmethyl]-3-oxo-cyclopentanecarboxylic acid CAS Name: 2-[[[2-acetamido-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-3-oxopropyl]thio]methyl]-3-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[2-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-3-oxopropyl]sulfanylmethyl]-3-oxocyclopentane-1-carboxylic acid Traditional Name: 2-[[[2-acetamido-3-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-3-keto-propyl]thio]methyl]-3-keto-cyclopentanecarboxylic acid Formula: C21H34N3O7S+ MolecularWeight: 472.57556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O7S/c1-13(25)23-16(12-32-11-15-14(19(28)29)5-6-17(15)26)18(27)24(9-7-22-8-10-24)20(30)31-21(2,3)4/h14-16,22H,5-12H2,1-4H3,(H-,23,25,28,29)/p+1