calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoic acid Openeye Name: calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoic acid CAS Name: calcium 2-(hydroxymethylamino)-4-(methylthio)butanoic acid IUPAC Name: calcium 2-(hydroxymethylamino)-4-methylsulfanylbutanoic acid Traditional Name: calcium 2-(methylolamino)-4-(methylthio)butyric acid Formula: C6H13CaNO3S+2 MolecularWeight: 219.31532

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCO.[Ca+2]

Isomeric SMILES

CSCCC(C(=O)O)NCO.[Ca+2]

InChI

InChI=1S/C6H13NO3S.Ca/c1-11-3-2-5(6(9)10)7-4-8;/h5,7-8H,2-4H2,1H3,(H,9,10);/q;+2