3-methyl-2-(2-sulfosulfanylethanoylamino)pentanoic acid

Systemtic Name: 3-methyl-2-(2-sulfosulfanylethanoylamino)pentanoic acid Openeye Name: 3-methyl-2-[(2-sulfosulfanylacetyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(sulfothio)ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-sulfosulfanylacetyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(sulfothio)acetyl]amino]valeric acid Formula: C8H15NO6S2 MolecularWeight: 285.3378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSS(=O)(=O)O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSS(=O)(=O)O

InChI

InChI=1S/C8H15NO6S2/c1-3-5(2)7(8(11)12)9-6(10)4-16-17(13,14)15/h5,7H,3-4H2,1-2H3,(H,9,10)(H,11,12)(H,13,14,15)