5-(2-fluorophenyl)-4-methylsulfonyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-fluorophenyl)-4-methylsulfonyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-benzyloxycarbonylphenyl)carbamoylamino]acetyl]-5-(2-fluorophenyl)-4-methylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(2-fluorophenyl)-4-methylsulfonyl-1-[1-oxo-2-[[oxo-(3-phenylmethoxycarbonylanilino)methyl]amino]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-fluorophenyl)-4-methylsulfonyl-1-[2-[(3-phenylmethoxycarbonylphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-carbobenzoxyphenyl)carbamoylamino]acetyl]-5-(2-fluorophenyl)-4-mesyl-proline Formula: C29H28FN3O8S MolecularWeight: 597.611323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CC(N(C1C2=CC=CC=C2F)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1CC(N(C1C2=CC=CC=C2F)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H28FN3O8S/c1-42(39,40)24-15-23(27(35)36)33(26(24)21-12-5-6-13-22(21)30)25(34)16-31-29(38)32-20-11-7-10-19(14-20)28(37)41-17-18-8-3-2-4-9-18/h2-14,23-24,26H,15-17H2,1H3,(H,35,36)(H2,31,32,38)