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

Systemtic Name: 2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethanesulfonic acid Openeye Name: 2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethanesulfonic acid CAS Name: 2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethanesulfonic acid Traditional Name: 2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethanesulfonic acid Formula: C11H22N2O7S MolecularWeight: 326.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)NCCS(=O)(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O7S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21(18,19)20/h9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20)/t9-/m0/s1