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

Systemtic Name: calcium (2S)-2-acetamido-4-methylsulfanyl-butanoate Openeye Name: calcium (2S)-2-acetamido-4-methylsulfanyl-butanoate CAS Name: calcium (2S)-2-acetamido-4-(methylthio)butanoate IUPAC Name: calcium (2S)-2-acetamido-4-methylsulfanylbutanoate Traditional Name: calcium (2S)-2-acetamido-4-(methylthio)butyrate Formula: C14H24CaN2O6S2 MolecularWeight: 420.55816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)[O-].CC(=O)N[C@@H](CCSC)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C7H13NO3S.Ca/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/p-2/t2*6-;/m00./s1