disodium (2R)-2-(2-methylbutanoylamino)-3-sulfonatooxy-propanoate

Systemtic Name: disodium (2R)-2-(2-methylbutanoylamino)-3-sulfonatooxy-propanoate Openeye Name: disodium (2R)-2-(2-methylbutanoylamino)-3-sulfonatooxy-propanoate CAS Name: disodium (2R)-2-[(2-methyl-1-oxobutyl)amino]-3-sulfonatooxypropanoate IUPAC Name: disodium (2R)-2-(2-methylbutanoylamino)-3-sulfonatooxypropanoate Traditional Name: disodium (2R)-2-(2-methylbutanoylamino)-3-sulfato-propionate Formula: C8H13NNa2O7S MolecularWeight: 313.23586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(COS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC(C)C(=O)N[C@H](COS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C8H15NO7S.2Na/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);;/q;2*+1/p-2/t5?,6-;;/m1../s1