4-methylsulfanyl-2-(3-methylsulfonylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(3-methylsulfonylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(3-methylsulfonylpropanoylamino)butanoic acid CAS Name: 2-[(3-methylsulfonyl-1-oxopropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-(3-methylsulfonylpropanoylamino)butanoic acid Traditional Name: 2-(3-mesylpropanoylamino)-4-(methylthio)butyric acid Formula: C9H17NO5S2 MolecularWeight: 283.36498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCS(=O)(=O)C

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCS(=O)(=O)C

InChI

InChI=1S/C9H17NO5S2/c1-16-5-3-7(9(12)13)10-8(11)4-6-17(2,14)15/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)