ethyl (3S,5R)-3-acetamido-5-methyl-octanoate

Systemtic Name: ethyl (3S,5R)-3-acetamido-5-methyl-octanoate Openeye Name: ethyl (3S,5R)-3-acetamido-5-methyl-octanoate CAS Name: (3S,5R)-3-acetamido-5-methyloctanoic acid ethyl ester IUPAC Name: ethyl (3S,5R)-3-acetamido-5-methyloctanoate Traditional Name: (3S,5R)-3-acetamido-5-methyl-caprylic acid ethyl ester Formula: C13H25NO3 MolecularWeight: 243.3425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C)C[C@@H](CC(=O)OCC)NC(=O)C

InChI

InChI=1S/C13H25NO3/c1-5-7-10(3)8-12(14-11(4)15)9-13(16)17-6-2/h10,12H,5-9H2,1-4H3,(H,14,15)/t10-,12+/m1/s1