4-methylsulfonyl-2-(octanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(octanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-(octanoylamino)butanoic acid CAS Name: 4-methylsulfonyl-2-(1-oxooctylamino)butanoic acid IUPAC Name: 4-methylsulfonyl-2-(octanoylamino)butanoic acid Traditional Name: 2-(caprylylamino)-4-mesyl-butyric acid Formula: C13H25NO5S MolecularWeight: 307.4063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H25NO5S/c1-3-4-5-6-7-8-12(15)14-11(13(16)17)9-10-20(2,18)19/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)