2-(carboxymethyl)-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-[2-(naphthalen-2-ylsulfonylamino)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-[2-(2-naphthylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(carboxymethyl)-1-[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(carboxymethyl)-1-[2-(naphthalen-2-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-(carboxymethyl)-1-[2-(2-naphthylsulfonylamino)acetyl]proline Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H20N2O7S/c22-16(21-9-3-8-19(21,18(25)26)11-17(23)24)12-20-29(27,28)15-7-6-13-4-1-2-5-14(13)10-15/h1-2,4-7,10,20H,3,8-9,11-12H2,(H,23,24)(H,25,26)