5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-5-(2-fluorophenyl)-4-morpholinosulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(4-morpholinylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-5-(2-fluorophenyl)-4-morpholinosulfonyl-proline Formula: C20H27FN2O7S MolecularWeight: 458.500983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(C1C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC(C1C2=CC=CC=C2F)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C20H27FN2O7S/c1-20(2,3)30-19(26)23-15(18(24)25)12-16(17(23)13-6-4-5-7-14(13)21)31(27,28)22-8-10-29-11-9-22/h4-7,15-17H,8-12H2,1-3H3,(H,24,25)