2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-1-(propan-2-ylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-1-(propan-2-ylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(isopropylcarbamoyl)-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 2-methyl-5-(4-methylphenyl)-4-[(4-nitrophenyl)-oxomethyl]-1-[oxo-(propan-2-ylamino)methyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-1-(propan-2-ylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(isopropylcarbamoyl)-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)proline Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC(C)C)(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC(C)C)(C)C(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H29N3O6S/c1-16(2)29-27(35)30-24(18-9-7-17(3)8-10-18)22(25(32)19-11-13-20(14-12-19)31(36)37)23(21-6-5-15-38-21)28(30,4)26(33)34/h5-16,22-24H,1-4H3,(H,29,35)(H,33,34)