sodium 11-[[(2R)-2-(dodecanoylamino)-2-phenyl-ethanoyl]amino]undecanoate

Systemtic Name: sodium 11-[[(2R)-2-(dodecanoylamino)-2-phenyl-ethanoyl]amino]undecanoate Openeye Name: sodium 11-[[(2R)-2-(dodecanoylamino)-2-phenyl-acetyl]amino]undecanoate CAS Name: sodium 11-[[(2R)-1-oxo-2-(1-oxododecylamino)-2-phenylethyl]amino]undecanoate IUPAC Name: sodium 11-[[(2R)-2-(dodecanoylamino)-2-phenylacetyl]amino]undecanoate Traditional Name: sodium 11-[[(2R)-2-(lauroylamino)-2-phenyl-acetyl]amino]undecanoate Formula: C31H51N2NaO4 MolecularWeight: 538.73741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@H](C1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C31H52N2O4.Na/c1-2-3-4-5-6-7-10-13-19-24-28(34)33-30(27-22-17-16-18-23-27)31(37)32-26-21-15-12-9-8-11-14-20-25-29(35)36;/h16-18,22-23,30H,2-15,19-21,24-26H2,1H3,(H,32,37)(H,33,34)(H,35,36);/q;+1/p-1/t30-;/m1./s1