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

Systemtic Name: sodium (2S)-3-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: sodium (2S)-2-(benzyloxycarbonylamino)-3-(4-chlorophenyl)propanoate CAS Name: sodium (2S)-3-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: sodium (2S)-3-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: sodium (2S)-2-(benzyloxycarbonylamino)-3-(4-chlorophenyl)propionate Formula: C17H15ClNNaO4 MolecularWeight: 355.74807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4.Na/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13;/h1-9,15H,10-11H2,(H,19,22)(H,20,21);/q;+1/p-1/t15-;/m0./s1