sodium 2-[(4-carboxy-6-cyano-4-methyl-octanoyl)amino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[(4-carboxy-6-cyano-4-methyl-octanoyl)amino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-[(4-carboxy-6-cyano-4-methyl-octanoyl)amino]-2-methyl-propane-1-sulfonate CAS Name: sodium 2-[(4-carboxy-6-cyano-4-methyl-1-oxooctyl)amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[(4-carboxy-6-cyano-4-methyloctanoyl)amino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-[(4-carboxy-6-cyano-4-methyl-octanoyl)amino]-2-methyl-propane-1-sulfonate Formula: C15H25N2NaO6S MolecularWeight: 384.42357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O6S.Na/c1-5-11(9-16)8-15(4,13(19)20)7-6-12(18)17-14(2,3)10-24(21,22)23;/h11H,5-8,10H2,1-4H3,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-1