sodium 2-methyl-2-[[5-methylsulfanyl-4-(2-oxidanylidenepyrrolidin-1-yl)pentanoyl]amino]propane-1-sulfonate

Systemtic Name: sodium 2-methyl-2-[[5-methylsulfanyl-4-(2-oxidanylidenepyrrolidin-1-yl)pentanoyl]amino]propane-1-sulfonate Openeye Name: sodium 2-methyl-2-[[5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanoyl]amino]propane-1-sulfonate CAS Name: sodium 2-methyl-2-[[5-(methylthio)-1-oxo-4-(2-oxo-1-pyrrolidinyl)pentyl]amino]-1-propanesulfonate IUPAC Name: sodium 2-methyl-2-[[5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanoyl]amino]propane-1-sulfonate Traditional Name: sodium 2-[[4-(2-ketopyrrolidino)-5-(methylthio)pentanoyl]amino]-2-methyl-propane-1-sulfonate Formula: C14H25N2NaO5S2 MolecularWeight: 388.47847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)[O-])NC(=O)CCC(CSC)N1CCCC1=O.[Na+]

Isomeric SMILES

CC(C)(CS(=O)(=O)[O-])NC(=O)CCC(CSC)N1CCCC1=O.[Na+]

InChI

InChI=1S/C14H26N2O5S2.Na/c1-14(2,10-23(19,20)21)15-12(17)7-6-11(9-22-3)16-8-4-5-13(16)18;/h11H,4-10H2,1-3H3,(H,15,17)(H,19,20,21);/q;+1/p-1