3-[4-(2-cyanophenyl)phenyl]-2-[pyridin-3-ylsulfonyl(pyrrolidin-2-ylcarbonyl)amino]propanoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenyl]-2-[pyridin-3-ylsulfonyl(pyrrolidin-2-ylcarbonyl)amino]propanoic acid Openeye Name: 3-[4-(2-cyanophenyl)phenyl]-2-[3-pyridylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoic acid CAS Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[oxo(2-pyrrolidinyl)methyl]-(3-pyridinylsulfonyl)amino]propanoic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenyl]-2-[pyridin-3-ylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(2-cyanophenyl)phenyl]-2-[prolyl(3-pyridylsulfonyl)amino]propionic acid Formula: C26H24N4O5S MolecularWeight: 504.55756

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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=CN=CC=C4

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=CN=CC=C4

InChI

InChI=1S/C26H24N4O5S/c27-16-20-5-1-2-7-22(20)19-11-9-18(10-12-19)15-24(26(32)33)30(25(31)23-8-4-14-29-23)36(34,35)21-6-3-13-28-17-21/h1-3,5-7,9-13,17,23-24,29H,4,8,14-15H2,(H,32,33)