5-(4-cyanophenyl)-2-methyl-1-(3-methylbutanoyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-2-methyl-1-(3-methylbutanoyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-2-methyl-1-(3-methyl-1-oxobutyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-2-methyl-4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-isovaleryl-2-methyl-4-p-toluoyl-3-(2-thienyl)proline Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)CC(C)C)(C)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)CC(C)C)(C)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C30H30N2O4S/c1-18(2)16-24(33)32-27(21-13-9-20(17-31)10-14-21)25(28(34)22-11-7-19(3)8-12-22)26(23-6-5-15-37-23)30(32,4)29(35)36/h5-15,18,25-27H,16H2,1-4H3,(H,35,36)