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

Systemtic Name: 5-(4-methoxyphenyl)-1-(3-methylbutanoyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)-1-(3-methylbutanoyl)-4-(4-nitrobenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-methoxyphenyl)-1-(3-methyl-1-oxobutyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-methoxyphenyl)-1-(3-methylbutanoyl)-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-isovaleryl-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-3-(2-thienyl)proline Formula: C28H28N2O7S MolecularWeight: 536.59612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C(C(C1C(=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(C1C(=O)O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H28N2O7S/c1-16(2)15-22(31)29-25(17-8-12-20(37-3)13-9-17)24(23(26(29)28(33)34)21-5-4-14-38-21)27(32)18-6-10-19(11-7-18)30(35)36/h4-14,16,23-26H,15H2,1-3H3,(H,33,34)