sodium (2R)-3-(4-hydroxyphenyl)-2-(2-methylbutanoylamino)propanoate

Systemtic Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(2-methylbutanoylamino)propanoate Openeye Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(2-methylbutanoylamino)propanoate CAS Name: sodium (2R)-3-(4-hydroxyphenyl)-2-[(2-methyl-1-oxobutyl)amino]propanoate IUPAC Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(2-methylbutanoylamino)propanoate Traditional Name: sodium (2R)-3-(4-hydroxyphenyl)-2-(2-methylbutanoylamino)propionate Formula: C14H18NNaO4 MolecularWeight: 287.28679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4.Na/c1-3-9(2)13(17)15-12(14(18)19)8-10-4-6-11(16)7-5-10;/h4-7,9,12,16H,3,8H2,1-2H3,(H,15,17)(H,18,19);/q;+1/p-1/t9?,12-;/m1./s1