2-[[2-ethyl-4-[(2-methyl-1-sulfo-propan-2-yl)carbamoyl]hexanoyl]amino]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-[[2-ethyl-4-[(2-methyl-1-sulfo-propan-2-yl)carbamoyl]hexanoyl]amino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[[4-[(1,1-dimethyl-2-sulfo-ethyl)carbamoyl]-2-ethyl-hexanoyl]amino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[2-ethyl-4-[[(2-methyl-1-sulfopropan-2-yl)amino]-oxomethyl]-1-oxohexyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[[2-ethyl-4-[(2-methyl-1-sulfopropan-2-yl)carbamoyl]hexanoyl]amino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[[4-[(1,1-dimethyl-2-sulfo-ethyl)carbamoyl]-2-ethyl-hexanoyl]amino]-2-methyl-propane-1-sulfonic acid Formula: C17H34N2O8S2 MolecularWeight: 458.59046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)C(=O)NC(C)(C)CS(=O)(=O)O)C(=O)NC(C)(C)CS(=O)(=O)O

Isomeric SMILES

CCC(CC(CC)C(=O)NC(C)(C)CS(=O)(=O)O)C(=O)NC(C)(C)CS(=O)(=O)O

InChI

InChI=1S/C17H34N2O8S2/c1-7-12(14(20)18-16(3,4)10-28(22,23)24)9-13(8-2)15(21)19-17(5,6)11-29(25,26)27/h12-13H,7-11H2,1-6H3,(H,18,20)(H,19,21)(H,22,23,24)(H,25,26,27)