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

Systemtic Name: 4-aminocarbonyl-1-(3-bromophenyl)carbonyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-bromobenzoyl)-4-carbamoyl-2-isobutyl-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-oxomethyl]-4-carbamoyl-2-(2-methylpropyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-bromobenzoyl)-4-carbamoyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-bromobenzoyl)-4-carbamoyl-2-isobutyl-5-thiazol-2-yl-proline Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-11(2)9-20(19(27)28)10-14(16(22)25)15(17-23-6-7-29-17)24(20)18(26)12-4-3-5-13(21)8-12/h3-8,11,14-15H,9-10H2,1-2H3,(H2,22,25)(H,27,28)