sodium (2R)-2-(2-methylbutanoylamino)-3-phenyl-propanoate

Systemtic Name: sodium (2R)-2-(2-methylbutanoylamino)-3-phenyl-propanoate Openeye Name: sodium (2R)-2-(2-methylbutanoylamino)-3-phenyl-propanoate CAS Name: sodium (2R)-2-[(2-methyl-1-oxobutyl)amino]-3-phenylpropanoate IUPAC Name: sodium (2R)-2-(2-methylbutanoylamino)-3-phenylpropanoate Traditional Name: sodium (2R)-2-(2-methylbutanoylamino)-3-phenyl-propionate Formula: C14H18NNaO3 MolecularWeight: 271.28739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H19NO3.Na/c1-3-10(2)13(16)15-12(14(17)18)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3,(H,15,16)(H,17,18);/q;+1/p-1/t10?,12-;/m1./s1