1-aminocarbonyl-2-(3-azanyl-2-fluoranyl-phenyl)-3-(chloromethylsulfonyl)-4-fluoranyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-aminocarbonyl-2-(3-azanyl-2-fluoranyl-phenyl)-3-(chloromethylsulfonyl)-4-fluoranyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-(3-amino-2-fluoro-phenyl)-1-carbamoyl-3-(chloromethylsulfonyl)-4-fluoro-pyrrolidine-2-carboxylic acid CAS Name: 2-(3-amino-2-fluorophenyl)-1-carbamoyl-3-(chloromethylsulfonyl)-4-fluoro-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(3-amino-2-fluorophenyl)-1-carbamoyl-3-(chloromethylsulfonyl)-4-fluoropyrrolidine-2-carboxylic acid Traditional Name: 2-(3-amino-2-fluoro-phenyl)-1-carbamoyl-3-(chloromethylsulfonyl)-4-fluoro-proline Formula: C13H14ClF2N3O5S MolecularWeight: 397.782166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1C(=O)N)(C2=C(C(=CC=C2)N)F)C(=O)O)S(=O)(=O)CCl)F

Isomeric SMILES

C1C(C(C(N1C(=O)N)(C2=C(C(=CC=C2)N)F)C(=O)O)S(=O)(=O)CCl)F

InChI

InChI=1S/C13H14ClF2N3O5S/c14-5-25(23,24)10-7(15)4-19(12(18)22)13(10,11(20)21)6-2-1-3-8(17)9(6)16/h1-3,7,10H,4-5,17H2,(H2,18,22)(H,20,21)