3-(4-tert-butylphenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-2-methyl-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-2-methyl-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-4-(2-thenoyl)proline Formula: C35H35N3O6S MolecularWeight: 625.7339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H35N3O6S/c1-21-9-6-11-25(19-21)36-33(42)37-30(23-10-7-12-26(20-23)38(43)44)28(31(39)27-13-8-18-45-27)29(35(37,5)32(40)41)22-14-16-24(17-15-22)34(2,3)4/h6-20,28-30H,1-5H3,(H,36,42)(H,40,41)