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

Systemtic Name: 2-(heptanoylamino)-4-methylsulfonyl-butanoic acid Openeye Name: 2-(heptanoylamino)-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-2-(1-oxoheptylamino)butanoic acid IUPAC Name: 2-(heptanoylamino)-4-methylsulfonylbutanoic acid Traditional Name: 2-(enanthylamino)-4-mesyl-butyric acid Formula: C12H23NO5S MolecularWeight: 293.37972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H23NO5S/c1-3-4-5-6-7-11(14)13-10(12(15)16)8-9-19(2,17)18/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16)