1-(2-azanylethanoyl)-5-(2-fluorophenyl)-4-[(phenylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanylethanoyl)-5-(2-fluorophenyl)-4-[(phenylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-aminoacetyl)-4-(benzylcarbamoyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxoethyl)-5-(2-fluorophenyl)-4-[oxo-[(phenylmethyl)amino]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-aminoacetyl)-4-(benzylcarbamoyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(benzylcarbamoyl)-5-(2-fluorophenyl)-1-glycyl-proline Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1C(=O)O)C(=O)CN)C2=CC=CC=C2F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1C(C(N(C1C(=O)O)C(=O)CN)C2=CC=CC=C2F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22FN3O4/c22-16-9-5-4-8-14(16)19-15(10-17(21(28)29)25(19)18(26)11-23)20(27)24-12-13-6-2-1-3-7-13/h1-9,15,17,19H,10-12,23H2,(H,24,27)(H,28,29)