5-methyl-3-(propanoylamino)octanoic acid

Systemtic Name: 5-methyl-3-(propanoylamino)octanoic acid Openeye Name: 5-methyl-3-(propanoylamino)octanoic acid CAS Name: 5-methyl-3-(1-oxopropylamino)octanoic acid IUPAC Name: 5-methyl-3-(propanoylamino)octanoic acid Traditional Name: 5-methyl-3-propionamido-caprylic acid Formula: C12H23NO3 MolecularWeight: 229.31592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)O)NC(=O)CC

Isomeric SMILES

CCCC(C)CC(CC(=O)O)NC(=O)CC

InChI

InChI=1S/C12H23NO3/c1-4-6-9(3)7-10(8-12(15)16)13-11(14)5-2/h9-10H,4-8H2,1-3H3,(H,13,14)(H,15,16)