sodium 2-(phenylmethoxycarbonylamino)-3-phenylsulfanyl-propanoic acid

Systemtic Name: sodium 2-(phenylmethoxycarbonylamino)-3-phenylsulfanyl-propanoic acid Openeye Name: sodium 2-(benzyloxycarbonylamino)-3-phenylsulfanyl-propanoic acid CAS Name: sodium 2-(phenylmethoxycarbonylamino)-3-(phenylthio)propanoic acid IUPAC Name: sodium 2-(phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoic acid Traditional Name: sodium 2-(benzyloxycarbonylamino)-3-(phenylthio)propionic acid Formula: C17H17NNaO4S+ MolecularWeight: 354.37595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=O)O.[Na+]

InChI

InChI=1S/C17H17NO4S.Na/c19-16(20)15(12-23-14-9-5-2-6-10-14)18-17(21)22-11-13-7-3-1-4-8-13;/h1-10,15H,11-12H2,(H,18,21)(H,19,20);/q;+1