5-phenyl-1-[2-[[3-(4-sulfamoylphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-phenyl-1-[2-[[3-(4-sulfamoylphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-phenyl-1-[2-[[3-(4-sulfamoylphenyl)-2-sulfanyl-propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-mercapto-1-oxo-3-(4-sulfamoylphenyl)propyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-phenyl-1-[2-[[3-(4-sulfamoylphenyl)-2-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-mercapto-3-(4-sulfamoylphenyl)propanoyl]amino]acetyl]-5-phenyl-proline Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=C(C=C3)S(=O)(=O)N)S)C(=O)O

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=C(C=C3)S(=O)(=O)N)S)C(=O)O

InChI

InChI=1S/C22H25N3O6S2/c23-33(30,31)16-8-6-14(7-9-16)12-19(32)21(27)24-13-20(26)25-17(10-11-18(25)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,32H,10-13H2,(H,24,27)(H,28,29)(H2,23,30,31)