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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NCO.CSCC[C@@H](C(=O)[O-])NCO.[Ca]

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);/p-2/t2*5-;/m00./s1