2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]pentanedioic acid CAS Name: 2-[[3-methyl-1-oxo-2-(1-oxodocosylamino)butyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(docosanoylamino)-3-methylbutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]glutaric acid Formula: C32H60N2O6 MolecularWeight: 568.8286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H60N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(35)34-30(26(2)3)31(38)33-27(32(39)40)24-25-29(36)37/h26-27,30H,4-25H2,1-3H3,(H,33,38)(H,34,35)(H,36,37)(H,39,40)