(2S)-2-(butylsulfonylamino)-4-methylsulfonyl-butanoic acid; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-2-(butylsulfonylamino)-4-methylsulfonyl-butanoic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-2-(butylsulfonylamino)-4-methylsulfonyl-butanoic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2S)-2-(butylsulfonylamino)-4-methylsulfonylbutanoic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-(butylsulfonylamino)-4-methylsulfonylbutanoic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-(butylsulfonylamino)-4-mesyl-butyric acid; (2S)-proline Formula: C14H28N2O8S2 MolecularWeight: 416.51072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19NO6S2.C5H9NO2/c1-3-4-6-18(15,16)10-8(9(11)12)5-7-17(2,13)14;7-5(8)4-2-1-3-6-4/h8,10H,3-7H2,1-2H3,(H,11,12);4,6H,1-3H2,(H,7,8)/t8-;4-/m00/s1