sodium 2-phenyl-2-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]sulfanyl-ethanoate

Systemtic Name: sodium 2-phenyl-2-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]sulfanyl-ethanoate Openeye Name: sodium 2-[(2S)-2-(benzyloxycarbonylamino)propanoyl]sulfanyl-2-phenyl-acetate CAS Name: sodium 2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]thio]-2-phenylacetate IUPAC Name: sodium 2-phenyl-2-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]sulfanylacetate Traditional Name: sodium 2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]thio]-2-phenyl-acetate Formula: C19H18NNaO5S MolecularWeight: 395.40469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC(C1=CC=CC=C1)C(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C[C@@H](C(=O)SC(C1=CC=CC=C1)C(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C19H19NO5S.Na/c1-13(20-19(24)25-12-14-8-4-2-5-9-14)18(23)26-16(17(21)22)15-10-6-3-7-11-15;/h2-11,13,16H,12H2,1H3,(H,20,24)(H,21,22);/q;+1/p-1/t13-,16?;/m0./s1