sodium 2-azanyl-4-methyl-pentanoic acid benzoate

Systemtic Name: sodium 2-azanyl-4-methyl-pentanoic acid benzoate Openeye Name: sodium 2-amino-4-methyl-pentanoic acid benzoate CAS Name: sodium 2-amino-4-methylpentanoic acid benzoate IUPAC Name: sodium 2-amino-4-methylpentanoic acid benzoate Traditional Name: sodium 2-amino-4-methyl-valeric acid benzoate Formula: C13H18NNaO4 MolecularWeight: 275.27609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C7H6O2.C6H13NO2.Na/c8-7(9)6-4-2-1-3-5-6;1-4(2)3-5(7)6(8)9;/h1-5H,(H,8,9);4-5H,3,7H2,1-2H3,(H,8,9);/q;;+1/p-1