4,5-dimethyl-3-(propanoylamino)octanoic acid

Systemtic Name: 4,5-dimethyl-3-(propanoylamino)octanoic acid Openeye Name: 4,5-dimethyl-3-(propanoylamino)octanoic acid CAS Name: 4,5-dimethyl-3-(1-oxopropylamino)octanoic acid IUPAC Name: 4,5-dimethyl-3-(propanoylamino)octanoic acid Traditional Name: 4,5-dimethyl-3-propionamido-caprylic acid Formula: C13H25NO3 MolecularWeight: 243.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO3/c1-5-7-9(3)10(4)11(8-13(16)17)14-12(15)6-2/h9-11H,5-8H2,1-4H3,(H,14,15)(H,16,17)