sodium (2S)-2-imidazol-1-yl-3-methyl-butanoate

Systemtic Name: sodium (2S)-2-imidazol-1-yl-3-methyl-butanoate Openeye Name: sodium (2S)-2-imidazol-1-yl-3-methyl-butanoate CAS Name: sodium (2S)-2-(1-imidazolyl)-3-methylbutanoate IUPAC Name: sodium (2S)-2-imidazol-1-yl-3-methylbutanoate Traditional Name: sodium (2S)-2-imidazol-1-yl-3-methyl-butyrate Formula: C8H11N2NaO2 MolecularWeight: 190.17491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C=CN=C1.[Na+]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])N1C=CN=C1.[Na+]

InChI

InChI=1S/C8H12N2O2.Na/c1-6(2)7(8(11)12)10-4-3-9-5-10;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1/t7-;/m0./s1