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

Systemtic Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-tert-butylphenyl)-2-methyl-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C34H33N3O6S MolecularWeight: 611.70732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])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)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

InChI

InChI=1S/C34H33N3O6S/c1-33(2,3)23-17-15-21(16-18-23)28-27(30(38)26-14-9-19-44-26)29(22-10-8-13-25(20-22)37(42)43)36(34(28,4)31(39)40)32(41)35-24-11-6-5-7-12-24/h5-20,27-29H,1-4H3,(H,35,41)(H,39,40)