2-(carboxymethyl)-1-[2-(pyridin-2-ylamino)-3-(3-sulfinophenyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-[2-(pyridin-2-ylamino)-3-(3-sulfinophenyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-[2-(2-pyridylamino)-3-(3-sulfinophenyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(carboxymethyl)-1-[1-oxo-2-(2-pyridinylamino)-3-(3-sulfinophenyl)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(carboxymethyl)-1-[2-(pyridin-2-ylamino)-3-(3-sulfinophenyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-(carboxymethyl)-1-[2-(2-pyridylamino)-3-(3-sulfinophenyl)propanoyl]proline Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC(=CC=C2)S(=O)O)NC3=CC=CC=N3)(CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC(=CC=C2)S(=O)O)NC3=CC=CC=N3)(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H23N3O7S/c25-18(26)13-21(20(28)29)8-4-10-24(21)19(27)16(23-17-7-1-2-9-22-17)12-14-5-3-6-15(11-14)32(30)31/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,22,23)(H,25,26)(H,28,29)(H,30,31)