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

Systemtic Name: 1-[2-(cyclopropylsulfonylamino)-3,3-dimethyl-butanoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(cyclopropylsulfonylamino)-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(cyclopropylsulfonylamino)-3,3-dimethyl-1-oxobutyl]-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(cyclopropylsulfonylamino)-3,3-dimethylbutanoyl]-2-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(cyclopropylsulfonylamino)-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C30H35N3O7S MolecularWeight: 581.6798

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C30H35N3O7S/c1-29(2,3)26(32-41(37,38)21-12-13-21)27(34)33-16-8-15-30(33,28(35)36)40-25-18-23(19-9-6-5-7-10-19)31-24-17-20(39-4)11-14-22(24)25/h5-7,9-11,14,17-18,21,26,32H,8,12-13,15-16H2,1-4H3,(H,35,36)