1-[3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(methanesulfonamido)-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(methanesulfonamido)-3,3-dimethyl-1-oxobutyl]-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]-2-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(methanesulfonamido)-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C28H33N3O7S MolecularWeight: 555.64252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCCC1(C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCCC1(C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C28H33N3O7S/c1-27(2,3)24(30-39(5,35)36)25(32)31-15-9-14-28(31,26(33)34)38-23-17-21(18-10-7-6-8-11-18)29-22-16-19(37-4)12-13-20(22)23/h6-8,10-13,16-17,24,30H,9,14-15H2,1-5H3,(H,33,34)