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

Systemtic Name: 5-(4-methoxyphenyl)-2-methyl-1-(3-methylbutanoyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)-2-methyl-1-(3-methylbutanoyl)-4-(4-nitrobenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-methoxyphenyl)-2-methyl-1-(3-methyl-1-oxobutyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-methoxyphenyl)-2-methyl-1-(3-methylbutanoyl)-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-isovaleryl-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrobenzoyl)-3-(2-thienyl)proline Formula: C29H30N2O7S MolecularWeight: 550.6227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C(C(C1(C)C(=O)O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CC(=O)N1C(C(C(C1(C)C(=O)O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H30N2O7S/c1-17(2)16-23(32)30-26(18-9-13-21(38-4)14-10-18)24(27(33)19-7-11-20(12-8-19)31(36)37)25(22-6-5-15-39-22)29(30,3)28(34)35/h5-15,17,24-26H,16H2,1-4H3,(H,34,35)