2-(hexanoylamino)-2-(sulfomethyl)butanoic acid

Systemtic Name: 2-(hexanoylamino)-2-(sulfomethyl)butanoic acid Openeye Name: 2-(hexanoylamino)-2-(sulfomethyl)butanoic acid CAS Name: 2-(1-oxohexylamino)-2-(sulfomethyl)butanoic acid IUPAC Name: 2-(hexanoylamino)-2-(sulfomethyl)butanoic acid Traditional Name: 2-(caproylamino)-2-(sulfomethyl)butyric acid Formula: C11H21NO6S MolecularWeight: 295.35254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO6S/c1-3-5-6-7-9(13)12-11(4-2,10(14)15)8-19(16,17)18/h3-8H2,1-2H3,(H,12,13)(H,14,15)(H,16,17,18)