11-[[(2S)-2-(dodecanoylamino)-3-methyl-butanoyl]amino]undecanoic acid

Systemtic Name: 11-[[(2S)-2-(dodecanoylamino)-3-methyl-butanoyl]amino]undecanoic acid Openeye Name: 11-[[(2S)-2-(dodecanoylamino)-3-methyl-butanoyl]amino]undecanoic acid CAS Name: 11-[[(2S)-3-methyl-1-oxo-2-(1-oxododecylamino)butyl]amino]undecanoic acid IUPAC Name: 11-[[(2S)-2-(dodecanoylamino)-3-methylbutanoyl]amino]undecanoic acid Traditional Name: 11-[[(2S)-2-(lauroylamino)-3-methyl-butanoyl]amino]undecanoic acid Formula: C28H54N2O4 MolecularWeight: 482.73936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)NCCCCCCCCCCC(=O)O

InChI

InChI=1S/C28H54N2O4/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)/t27-/m0/s1