calcium (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: calcium (2S)-2-azanyl-3-methyl-butanoate Openeye Name: calcium (2S)-2-amino-3-methyl-butanoate CAS Name: calcium (2S)-2-amino-3-methylbutanoate IUPAC Name: calcium (2S)-2-amino-3-methylbutanoate Traditional Name: calcium (2S)-2-amino-3-methyl-butyrate Formula: C5H10CaNO2+ MolecularWeight: 156.2164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11NO2.Ca/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);/q;+2/p-1/t4-;/m0./s1