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calcium (2S)-2-formamido-4-methylsulfanyl-butanoate

calcium (2S)-2-formamido-4-methylsulfanyl-butanoate

Systemtic Name:calcium (2S)-2-formamido-4-methylsulfanyl-butanoate
Openeye Name:calcium (2S)-2-formamido-4-methylsulfanyl-butanoate
CAS Name:calcium (2S)-2-formamido-4-(methylthio)butanoate
IUPAC Name:calcium (2S)-2-formamido-4-methylsulfanylbutanoate
Traditional Name:calcium (2S)-2-formamido-4-(methylthio)butyrate
Formula: C12H20CaN2O6S2
MolecularWeight: 392.505
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC=O.CSCC[C@@H](C(=O)[O-])NC=O.[Ca+2]


InChI

InChI=1S/2C6H11NO3S.Ca/c2*1-11-3-2-5(6(9)10)7-4-8;/h2*4-5H,2-3H2,1H3,(H,7,8)(H,9,10);/q;;+2/p-2/t2*5-;/m00./s1


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