3-(4-tert-butylphenyl)-1-cyclopropylcarbonyl-5-(4-dimethylaminophenyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-cyclopropylcarbonyl-5-(4-dimethylaminophenyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-5-(4-dimethylaminophenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[cyclopropyl(oxo)methyl]-5-(4-dimethylaminophenyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-5-(4-dimethylaminophenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-5-(4-dimethylaminophenyl)-2-methyl-4-(2-thenoyl)proline Formula: C33H38N2O4S MolecularWeight: 558.73082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)C3=CC=C(C=C3)N(C)C)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CC2)C3=CC=C(C=C3)N(C)C)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

InChI

InChI=1S/C33H38N2O4S/c1-32(2,3)23-15-11-20(12-16-23)27-26(29(36)25-8-7-19-40-25)28(21-13-17-24(18-14-21)34(5)6)35(30(37)22-9-10-22)33(27,4)31(38)39/h7-8,11-19,22,26-28H,9-10H2,1-6H3,(H,38,39)