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

Systemtic Name: 2-(icosanoylamino)-3-methyl-pentanoic acid Openeye Name: 2-(icosanoylamino)-3-methyl-pentanoic acid CAS Name: 3-methyl-2-(1-oxoeicosylamino)pentanoic acid IUPAC Name: 2-(icosanoylamino)-3-methylpentanoic acid Traditional Name: 2-(eicosanoylamino)-3-methyl-valeric acid Formula: C26H51NO3 MolecularWeight: 425.68804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(28)27-25(26(29)30)23(3)5-2/h23,25H,4-22H2,1-3H3,(H,27,28)(H,29,30)