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

Systemtic Name: sodium (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: sodium (2S)-2-(benzyloxycarbonylamino)-3-(4-benzyloxyphenyl)propanoate CAS Name: sodium (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate IUPAC Name: sodium (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: sodium (2S)-3-(4-benzoxyphenyl)-2-(benzyloxycarbonylamino)propionate Formula: C24H22NNaO5 MolecularWeight: 427.42495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)[O-])NC(=O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)[O-])NC(=O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H23NO5.Na/c26-23(27)22(25-24(28)30-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)29-16-19-7-3-1-4-8-19;/h1-14,22H,15-17H2,(H,25,28)(H,26,27);/q;+1/p-1/t22-;/m0./s1