calcium 3-[(3,3-dimethyl-2-oxidanyl-4-phosphonatooxy-butanoyl)amino]propanoate

Systemtic Name: calcium 3-[(3,3-dimethyl-2-oxidanyl-4-phosphonatooxy-butanoyl)amino]propanoate Openeye Name: calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxy-butanoyl)amino]propanoate CAS Name: calcium 3-[(2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonatooxybutyl)amino]propanoate IUPAC Name: calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate Traditional Name: calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphato-butanoyl)amino]propionate Formula: C9H15CaNO8P- MolecularWeight: 336.269061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18NO8P.Ca/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12;/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17);/q;+2/p-3