(5S)-5-(hexadecanoylamino)-7-methyl-octanoic acid

Systemtic Name: (5S)-5-(hexadecanoylamino)-7-methyl-octanoic acid Openeye Name: (5S)-5-(hexadecanoylamino)-7-methyl-octanoic acid CAS Name: (5S)-7-methyl-5-(1-oxohexadecylamino)octanoic acid IUPAC Name: (5S)-5-(hexadecanoylamino)-7-methyloctanoic acid Traditional Name: (5S)-7-methyl-5-palmitamido-caprylic acid Formula: C25H49NO3 MolecularWeight: 411.66146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCC(=O)O)CC(C)C

InChI

InChI=1S/C25H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)26-23(21-22(2)3)18-17-20-25(28)29/h22-23H,4-21H2,1-3H3,(H,26,27)(H,28,29)/t23-/m0/s1