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

Systemtic Name: (2R)-2-(butylsulfonylamino)-3-methylsulfonyl-propanoic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2R)-2-(butylsulfonylamino)-3-methylsulfonyl-propanoic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2R)-2-(butylsulfonylamino)-3-methylsulfonylpropanoic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-2-(butylsulfonylamino)-3-methylsulfonylpropanoic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2R)-2-(butylsulfonylamino)-3-mesyl-propionic acid; (2S)-proline Formula: C13H26N2O8S2 MolecularWeight: 402.48414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CS(=O)(=O)C)C(=O)O.C1CC(NC1)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CS(=O)(=O)C)C(=O)O.C1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C8H17NO6S2.C5H9NO2/c1-3-4-5-17(14,15)9-7(8(10)11)6-16(2,12)13;7-5(8)4-2-1-3-6-4/h7,9H,3-6H2,1-2H3,(H,10,11);4,6H,1-3H2,(H,7,8)/t7-;4-/m00/s1