(2R)-3-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-3-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2R)-3-methylsulfonyl-2-(2-naphthylsulfonylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2R)-3-methylsulfonyl-2-(2-naphthalenylsulfonylamino)propanoic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-3-methylsulfonyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2R)-3-mesyl-2-(2-naphthylsulfonylamino)propionic acid; (2S)-proline Formula: C19H24N2O8S2 MolecularWeight: 472.53246

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1.C1CC(NC1)C(=O)O

Isomeric SMILES

CS(=O)(=O)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1.C1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C14H15NO6S2.C5H9NO2/c1-22(18,19)9-13(14(16)17)15-23(20,21)12-7-6-10-4-2-3-5-11(10)8-12;7-5(8)4-2-1-3-6-4/h2-8,13,15H,9H2,1H3,(H,16,17);4,6H,1-3H2,(H,7,8)/t13-;4-/m00/s1