2-(phenylmethoxycarbonylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-(4-phenylsulfanylphenyl)sulfonylpropanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid Formula: C23H21NO6S2 MolecularWeight: 471.54594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H21NO6S2/c25-22(26)21(24-23(27)30-15-17-7-3-1-4-8-17)16-32(28,29)20-13-11-19(12-14-20)31-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)(H,25,26)