2-(2-ethylhexanoylamino)-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-(2-ethylhexanoylamino)-4-methylsulfonyl-butanoic acid Openeye Name: 2-(2-ethylhexanoylamino)-4-methylsulfonyl-butanoic acid CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-(2-ethylhexanoylamino)-4-methylsulfonylbutanoic acid Traditional Name: 2-(2-ethylhexanoylamino)-4-mesyl-butyric acid Formula: C13H25NO5S MolecularWeight: 307.4063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H25NO5S/c1-4-6-7-10(5-2)12(15)14-11(13(16)17)8-9-20(3,18)19/h10-11H,4-9H2,1-3H3,(H,14,15)(H,16,17)