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

Systemtic Name: 5-(4-methoxyphenyl)-4-(4-nitrophenyl)carbonyl-1-(propylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1-(propylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-methoxyphenyl)-4-[(4-nitrophenyl)-oxomethyl]-1-[oxo(propylamino)methyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1-(propylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1-(propylcarbamoyl)-3-(2-thienyl)proline Formula: C27H27N3O7S MolecularWeight: 537.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=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

CCCNC(=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/C27H27N3O7S/c1-3-14-28-27(34)29-23(16-8-12-19(37-2)13-9-16)22(21(24(29)26(32)33)20-5-4-15-38-20)25(31)17-6-10-18(11-7-17)30(35)36/h4-13,15,21-24H,3,14H2,1-2H3,(H,28,34)(H,32,33)