sodium 11-[[(2S)-2-(dodecanoylamino)-4-methyl-pentanoyl]amino]undecanoate

Systemtic Name: sodium 11-[[(2S)-2-(dodecanoylamino)-4-methyl-pentanoyl]amino]undecanoate Openeye Name: sodium 11-[[(2S)-2-(dodecanoylamino)-4-methyl-pentanoyl]amino]undecanoate CAS Name: sodium 11-[[(2S)-4-methyl-1-oxo-2-(1-oxododecylamino)pentyl]amino]undecanoate IUPAC Name: sodium 11-[[(2S)-2-(dodecanoylamino)-4-methylpentanoyl]amino]undecanoate Traditional Name: sodium 11-[[(2S)-2-(lauroylamino)-4-methyl-pentanoyl]amino]undecanoate Formula: C29H55N2NaO4 MolecularWeight: 518.74777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H56N2O4.Na/c1-4-5-6-7-8-9-12-15-18-21-27(32)31-26(24-25(2)3)29(35)30-23-20-17-14-11-10-13-16-19-22-28(33)34;/h25-26H,4-24H2,1-3H3,(H,30,35)(H,31,32)(H,33,34);/q;+1/p-1/t26-;/m0./s1