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

Systemtic Name: 2-methyl-1-(3-methylbutanoyl)-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-methyl-1-(3-methylbutanoyl)-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 2-methyl-1-(3-methyl-1-oxobutyl)-5-(4-methylphenyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-1-(3-methylbutanoyl)-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-isovaleryl-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)proline Formula: C29H30N2O6S MolecularWeight: 534.6233

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30N2O6S/c1-17(2)16-23(32)30-26(19-9-7-18(3)8-10-19)24(27(33)20-11-13-21(14-12-20)31(36)37)25(22-6-5-15-38-22)29(30,4)28(34)35/h5-15,17,24-26H,16H2,1-4H3,(H,34,35)