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

Systemtic Name: 4-(diethylcarbamoyl)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]ethanoyl]-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(diethylcarbamoyl)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]acetyl]-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[diethylamino(oxo)methyl]-1-[2-[[(3-ethoxycarbonylanilino)-oxomethyl]amino]-1-oxoethyl]-5-(2-fluorophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(diethylcarbamoyl)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]acetyl]-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-carbethoxyphenyl)carbamoylamino]acetyl]-4-(diethylcarbamoyl)-5-(2-fluorophenyl)proline Formula: C28H33FN4O7 MolecularWeight: 556.582623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC(N(C1C2=CC=CC=C2F)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)OCC)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1CC(N(C1C2=CC=CC=C2F)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)OCC)C(=O)O

InChI

InChI=1S/C28H33FN4O7/c1-4-32(5-2)25(35)20-15-22(26(36)37)33(24(20)19-12-7-8-13-21(19)29)23(34)16-30-28(39)31-18-11-9-10-17(14-18)27(38)40-6-3/h7-14,20,22,24H,4-6,15-16H2,1-3H3,(H,36,37)(H2,30,31,39)