sodium 3-(4-hydroxyphenyl)-2-(2-oxidanylpropanoylamino)propanoic acid

Systemtic Name: sodium 3-(4-hydroxyphenyl)-2-(2-oxidanylpropanoylamino)propanoic acid Openeye Name: sodium 3-(4-hydroxyphenyl)-2-(2-hydroxypropanoylamino)propanoic acid CAS Name: sodium 2-[(2-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: sodium 3-(4-hydroxyphenyl)-2-(2-hydroxypropanoylamino)propanoic acid Traditional Name: sodium 3-(4-hydroxyphenyl)-2-lactamido-propionic acid Formula: C12H15NNaO5+ MolecularWeight: 276.24097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5.Na/c1-7(14)11(16)13-10(12(17)18)6-8-2-4-9(15)5-3-8;/h2-5,7,10,14-15H,6H2,1H3,(H,13,16)(H,17,18);/q;+1