calcium (2S)-4-methylsulfanyl-2-(oxidanylamino)butanoic acid

Systemtic Name: calcium (2S)-4-methylsulfanyl-2-(oxidanylamino)butanoic acid Openeye Name: calcium (2S)-2-(hydroxyamino)-4-methylsulfanyl-butanoic acid CAS Name: calcium (2S)-2-(hydroxyamino)-4-(methylthio)butanoic acid IUPAC Name: calcium (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoic acid Traditional Name: calcium (2S)-2-(hydroxyamino)-4-(methylthio)butyric acid Formula: C5H11CaNO3S+2 MolecularWeight: 205.28874

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NO.[Ca+2]

Isomeric SMILES

CSCC[C@@H](C(=O)O)NO.[Ca+2]

InChI

InChI=1S/C5H11NO3S.Ca/c1-10-3-2-4(6-9)5(7)8;/h4,6,9H,2-3H2,1H3,(H,7,8);/q;+2/t4-;/m0./s1