sodium 4-methyl-2-(pentadecanoylamino)pentanoic acid

Systemtic Name: sodium 4-methyl-2-(pentadecanoylamino)pentanoic acid Openeye Name: sodium 4-methyl-2-(pentadecanoylamino)pentanoic acid CAS Name: sodium 4-methyl-2-(1-oxopentadecylamino)pentanoic acid IUPAC Name: sodium 4-methyl-2-(pentadecanoylamino)pentanoic acid Traditional Name: sodium 4-methyl-2-(pentadecanoylamino)valeric acid Formula: C21H41NNaO3+ MolecularWeight: 378.54491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)O.[Na+]

InChI

InChI=1S/C21H41NO3.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18(2)3;/h18-19H,4-17H2,1-3H3,(H,22,23)(H,24,25);/q;+1