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

Systemtic Name: (2S)-4-methylsulfonyl-2-(2-propylpentanoylamino)butanoic acid; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-methylsulfonyl-2-(2-propylpentanoylamino)butanoic acid; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-methylsulfonyl-2-[(1-oxo-2-propylpentyl)amino]butanoic acid; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-methylsulfonyl-2-(2-propylpentanoylamino)butanoic acid; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-mesyl-2-(2-propylpentanoylamino)butyric acid; (2S)-proline Formula: C18H34N2O7S MolecularWeight: 422.53676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC(CCS(=O)(=O)C)C(=O)O.C1CC(NC1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO5S.C5H9NO2/c1-4-6-10(7-5-2)12(15)14-11(13(16)17)8-9-20(3,18)19;7-5(8)4-2-1-3-6-4/h10-11H,4-9H2,1-3H3,(H,14,15)(H,16,17);4,6H,1-3H2,(H,7,8)/t11-;4-/m00/s1