sodium (2S)-3-(4-chlorophenyl)-2-(2-phenylethanoylamino)propanoate

Systemtic Name: sodium (2S)-3-(4-chlorophenyl)-2-(2-phenylethanoylamino)propanoate Openeye Name: sodium (2S)-3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate CAS Name: sodium (2S)-3-(4-chlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]propanoate IUPAC Name: sodium (2S)-3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate Traditional Name: sodium (2S)-3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propionate Formula: C17H15ClNNaO3 MolecularWeight: 339.74867

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16ClNO3.Na/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12;/h1-9,15H,10-11H2,(H,19,20)(H,21,22);/q;+1/p-1/t15-;/m0./s1