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calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoate

calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoate

Systemtic Name:calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoate
Openeye Name:calcium 2-(hydroxymethylamino)-4-methylsulfanyl-butanoate
CAS Name:calcium 2-(hydroxymethylamino)-4-(methylthio)butanoate
IUPAC Name:calcium 2-(hydroxymethylamino)-4-methylsulfanylbutanoate
Traditional Name:calcium 2-(methylolamino)-4-(methylthio)butyrate
Formula: C12H24CaN2O6S2
MolecularWeight: 396.53676
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C6H13NO3S.Ca/c2*1-11-3-2-5(6(9)10)7-4-8;/h2*5,7-8H,2-4H2,1H3,(H,9,10);/q;;+2/p-2


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