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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C1C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N)(C(=O)O)S)C(=O)CN)C3=CC=CC=C3

Isomeric SMILES

C1C(N(C(C1C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N)(C(=O)O)S)C(=O)CN)C3=CC=CC=C3

InChI

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