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

Systemtic Name: sodium (2S)-2-(2-phenylethanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: sodium (2S)-3-(4-benzyloxyphenyl)-2-[(2-phenylacetyl)amino]propanoate CAS Name: sodium (2S)-2-[(1-oxo-2-phenylethyl)amino]-3-(4-phenylmethoxyphenyl)propanoate IUPAC Name: sodium (2S)-2-[(2-phenylacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: sodium (2S)-3-(4-benzoxyphenyl)-2-[(2-phenylacetyl)amino]propionate Formula: C24H22NNaO4 MolecularWeight: 411.42555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H23NO4.Na/c26-23(16-18-7-3-1-4-8-18)25-22(24(27)28)15-19-11-13-21(14-12-19)29-17-20-9-5-2-6-10-20;/h1-14,22H,15-17H2,(H,25,26)(H,27,28);/q;+1/p-1/t22-;/m0./s1