(2R)-2-(2-methylbutanoylamino)-3-sulfooxy-propanoic acid

Systemtic Name: (2R)-2-(2-methylbutanoylamino)-3-sulfooxy-propanoic acid Openeye Name: (2R)-2-(2-methylbutanoylamino)-3-sulfooxy-propanoic acid CAS Name: (2R)-2-[(2-methyl-1-oxobutyl)amino]-3-sulfooxypropanoic acid IUPAC Name: (2R)-2-(2-methylbutanoylamino)-3-sulfooxypropanoic acid Traditional Name: (2R)-2-(2-methylbutanoylamino)-3-sulfoxy-propionic acid Formula: C8H15NO7S MolecularWeight: 269.2722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(COS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)N[C@H](COS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H15NO7S/c1-3-5(2)7(10)9-6(8(11)12)4-16-17(13,14)15/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)(H,13,14,15)/t5?,6-/m1/s1