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

Systemtic Name: 2-(docosanoylamino)-3-methyl-butanoic acid Openeye Name: 2-(docosanoylamino)-3-methyl-butanoic acid CAS Name: 3-methyl-2-(1-oxodocosylamino)butanoic acid IUPAC Name: 2-(docosanoylamino)-3-methylbutanoic acid Traditional Name: 2-(docosanoylamino)-3-methyl-butyric acid Formula: C27H53NO3 MolecularWeight: 439.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C27H53NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(29)28-26(24(2)3)27(30)31/h24,26H,4-23H2,1-3H3,(H,28,29)(H,30,31)