2-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonate

Systemtic Name: 2-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonate Openeye Name: 2-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]ethanesulfonate CAS Name: 2-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]ethanesulfonate IUPAC Name: 2-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]ethanesulfonate Traditional Name: 2-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]ethanesulfonate Formula: C8H16NO6S- MolecularWeight: 254.28074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCS(=O)(=O)[O-])O

Isomeric SMILES

CC(C)(CO)[C@H](C(=O)NCCS(=O)(=O)[O-])O

InChI

InChI=1S/C8H17NO6S/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15/h6,10-11H,3-5H2,1-2H3,(H,9,12)(H,13,14,15)/p-1/t6-/m0/s1