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

Systemtic Name: sodium (2S)-3-(4-phenylmethoxyphenyl)-2-(3-phenylpropanoylamino)propanoate Openeye Name: sodium (2S)-3-(4-benzyloxyphenyl)-2-(3-phenylpropanoylamino)propanoate CAS Name: sodium (2S)-2-[(1-oxo-3-phenylpropyl)amino]-3-(4-phenylmethoxyphenyl)propanoate IUPAC Name: sodium (2S)-3-(4-phenylmethoxyphenyl)-2-(3-phenylpropanoylamino)propanoate Traditional Name: sodium (2S)-3-(4-benzoxyphenyl)-2-(hydrocinnamoylamino)propionate Formula: C25H24NNaO4 MolecularWeight: 425.45213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4.Na/c27-24(16-13-19-7-3-1-4-8-19)26-23(25(28)29)17-20-11-14-22(15-12-20)30-18-21-9-5-2-6-10-21;/h1-12,14-15,23H,13,16-18H2,(H,26,27)(H,28,29);/q;+1/p-1/t23-;/m0./s1