(2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoic acid; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-2-(benzylsulfonylamino)-4-methylsulfonyl-butanoic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-methylsulfonyl-2-[(phenylmethyl)sulfonylamino]butanoic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-(benzylsulfonylamino)-4-methylsulfonylbutanoic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-(benzylsulfonylamino)-4-mesyl-butyric acid; (2S)-proline Formula: C17H26N2O8S2 MolecularWeight: 450.52694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1.C1CC(NC1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)O)NS(=O)(=O)CC1=CC=CC=C1.C1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C12H17NO6S2.C5H9NO2/c1-20(16,17)8-7-11(12(14)15)13-21(18,19)9-10-5-3-2-4-6-10;7-5(8)4-2-1-3-6-4/h2-6,11,13H,7-9H2,1H3,(H,14,15);4,6H,1-3H2,(H,7,8)/t11-;4-/m00/s1