4-aminocarbonyl-1-(3-bromophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-aminocarbonyl-1-(3-bromophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-bromobenzoyl)-4-carbamoyl-2-isobutyl-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-oxomethyl]-4-carbamoyl-2-(2-methylpropyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-bromobenzoyl)-4-carbamoyl-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(3-bromobenzoyl)-4-carbamoyl-2-isobutyl-5-(2-thienyl)proline Formula: C21H23BrN2O4S MolecularWeight: 479.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC(=CC=C2)Br)C3=CC=CS3)C(=O)N)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC(=CC=C2)Br)C3=CC=CS3)C(=O)N)C(=O)O

InChI

InChI=1S/C21H23BrN2O4S/c1-12(2)10-21(20(27)28)11-15(18(23)25)17(16-7-4-8-29-16)24(21)19(26)13-5-3-6-14(22)9-13/h3-9,12,15,17H,10-11H2,1-2H3,(H2,23,25)(H,27,28)