2-(icosanoylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(icosanoylamino)-3-methyl-butanoic acid Openeye Name: 2-(icosanoylamino)-3-methyl-butanoic acid CAS Name: 3-methyl-2-(1-oxoeicosylamino)butanoic acid IUPAC Name: 2-(icosanoylamino)-3-methylbutanoic acid Traditional Name: 2-(eicosanoylamino)-3-methyl-butyric acid Formula: C25H49NO3 MolecularWeight: 411.66146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O

InChI

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