sodium 2-[(5-azanyl-2-ethyl-4-methyl-5-oxidanylidene-pentanoyl)amino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[(5-azanyl-2-ethyl-4-methyl-5-oxidanylidene-pentanoyl)amino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-[(5-amino-2-ethyl-4-methyl-5-oxo-pentanoyl)amino]-2-methyl-propane-1-sulfonate CAS Name: sodium 2-[(5-amino-2-ethyl-4-methyl-1,5-dioxopentyl)amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-[(5-amino-2-ethyl-5-keto-4-methyl-pentanoyl)amino]-2-methyl-propane-1-sulfonate Formula: C12H23N2NaO5S MolecularWeight: 330.37619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)N)C(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC(C)C(=O)N)C(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H24N2O5S.Na/c1-5-9(6-8(2)10(13)15)11(16)14-12(3,4)7-20(17,18)19;/h8-9H,5-7H2,1-4H3,(H2,13,15)(H,14,16)(H,17,18,19);/q;+1/p-1