3-[4-(2-cyanophenyl)phenyl]-2-[(3-iodanylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(3-iodanylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(3-iodophenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]propanoic acid CAS Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(3-iodophenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(3-iodophenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(3-iodophenyl)sulfonyl-prolyl-amino]propionic acid Formula: C27H24IN3O5S MolecularWeight: 629.46603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O)S(=O)(=O)C4=CC(=CC=C4)I

Isomeric SMILES

C1CC(NC1)C(=O)N(C(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O)S(=O)(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C27H24IN3O5S/c28-21-6-3-7-22(16-21)37(35,36)31(26(32)24-9-4-14-30-24)25(27(33)34)15-18-10-12-19(13-11-18)23-8-2-1-5-20(23)17-29/h1-3,5-8,10-13,16,24-25,30H,4,9,14-15H2,(H,33,34)