2-[[(2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]ethanesulfonic acid CAS Name: 2-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]ethanesulfonic acid Formula: C8H17NO6S MolecularWeight: 255.28868

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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)/t6-/m1/s1