sodium (2R)-3-(1H-imidazol-5-yl)-2-(2-methylbutanoylamino)propanoate

Systemtic Name: sodium (2R)-3-(1H-imidazol-5-yl)-2-(2-methylbutanoylamino)propanoate Openeye Name: sodium (2R)-3-(1H-imidazol-5-yl)-2-(2-methylbutanoylamino)propanoate CAS Name: sodium (2R)-3-(1H-imidazol-5-yl)-2-[(2-methyl-1-oxobutyl)amino]propanoate IUPAC Name: sodium (2R)-3-(1H-imidazol-5-yl)-2-(2-methylbutanoylamino)propanoate Traditional Name: sodium (2R)-3-(1H-imidazol-5-yl)-2-(2-methylbutanoylamino)propionate Formula: C11H16N3NaO3 MolecularWeight: 261.25281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(CC1=CN=CN1)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C(=O)N[C@H](CC1=CN=CN1)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H17N3O3.Na/c1-3-7(2)10(15)14-9(11(16)17)4-8-5-12-6-13-8;/h5-7,9H,3-4H2,1-2H3,(H,12,13)(H,14,15)(H,16,17);/q;+1/p-1/t7?,9-;/m1./s1