5-[2-(2-azanylbutanoylamino)propan-2-yl]tetradecane-2-sulfonic acid

Systemtic Name: 5-[2-(2-azanylbutanoylamino)propan-2-yl]tetradecane-2-sulfonic acid Openeye Name: 5-[1-(2-aminobutanoylamino)-1-methyl-ethyl]tetradecane-2-sulfonic acid CAS Name: 5-[2-[(2-amino-1-oxobutyl)amino]propan-2-yl]-2-tetradecanesulfonic acid IUPAC Name: 5-[2-(2-aminobutanoylamino)propan-2-yl]tetradecane-2-sulfonic acid Traditional Name: 5-[1-(2-aminobutanoylamino)-1-methyl-ethyl]tetradecane-2-sulfonic acid Formula: C21H44N2O4S MolecularWeight: 420.65006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(C)S(=O)(=O)O)C(C)(C)NC(=O)C(CC)N

Isomeric SMILES

CCCCCCCCCC(CCC(C)S(=O)(=O)O)C(C)(C)NC(=O)C(CC)N

InChI

InChI=1S/C21H44N2O4S/c1-6-8-9-10-11-12-13-14-18(16-15-17(3)28(25,26)27)21(4,5)23-20(24)19(22)7-2/h17-19H,6-16,22H2,1-5H3,(H,23,24)(H,25,26,27)