3-[[(2R)-3,3-dimethyl-4-oxidanyl-2-sulfooxy-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2R)-3,3-dimethyl-4-oxidanyl-2-sulfooxy-butanoyl]amino]propanoic acid Openeye Name: 3-[[(2R)-4-hydroxy-3,3-dimethyl-2-sulfooxy-butanoyl]amino]propanoic acid CAS Name: 3-[[(2R)-4-hydroxy-3,3-dimethyl-1-oxo-2-sulfooxybutyl]amino]propanoic acid IUPAC Name: 3-[[(2R)-4-hydroxy-3,3-dimethyl-2-sulfooxybutanoyl]amino]propanoic acid Traditional Name: 3-[[(2R)-4-hydroxy-3,3-dimethyl-2-sulfoxy-butanoyl]amino]propionic acid Formula: C9H17NO8S MolecularWeight: 299.29818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO8S/c1-9(2,5-11)7(18-19(15,16)17)8(14)10-4-3-6(12)13/h7,11H,3-5H2,1-2H3,(H,10,14)(H,12,13)(H,15,16,17)/t7-/m0/s1