sodium 11-[[(2S)-2-(dodecanoylamino)-3-methyl-butanoyl]amino]undecanoate

Systemtic Name: sodium 11-[[(2S)-2-(dodecanoylamino)-3-methyl-butanoyl]amino]undecanoate Openeye Name: sodium 11-[[(2S)-2-(dodecanoylamino)-3-methyl-butanoyl]amino]undecanoate CAS Name: sodium 11-[[(2S)-3-methyl-1-oxo-2-(1-oxododecylamino)butyl]amino]undecanoate IUPAC Name: sodium 11-[[(2S)-2-(dodecanoylamino)-3-methylbutanoyl]amino]undecanoate Traditional Name: sodium 11-[[(2S)-2-(lauroylamino)-3-methyl-butanoyl]amino]undecanoate Formula: C28H53N2NaO4 MolecularWeight: 504.72119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C28H54N2O4.Na/c1-4-5-6-7-8-9-12-15-18-21-25(31)30-27(24(2)3)28(34)29-23-20-17-14-11-10-13-16-19-22-26(32)33;/h24,27H,4-23H2,1-3H3,(H,29,34)(H,30,31)(H,32,33);/q;+1/p-1/t27-;/m0./s1