sodium 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoate

Systemtic Name: sodium 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoate Openeye Name: sodium 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoate CAS Name: sodium 11-[[(2S)-1-oxo-2-(1-oxododecylamino)-3-phenylpropyl]amino]undecanoate IUPAC Name: sodium 11-[[(2S)-2-(dodecanoylamino)-3-phenylpropanoyl]amino]undecanoate Traditional Name: sodium 11-[[(2S)-2-(lauroylamino)-3-phenyl-propanoyl]amino]undecanoate Formula: C32H53N2NaO4 MolecularWeight: 552.76399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C32H54N2O4.Na/c1-2-3-4-5-6-7-10-13-19-24-30(35)34-29(27-28-22-17-16-18-23-28)32(38)33-26-21-15-12-9-8-11-14-20-25-31(36)37;/h16-18,22-23,29H,2-15,19-21,24-27H2,1H3,(H,33,38)(H,34,35)(H,36,37);/q;+1/p-1/t29-;/m0./s1