calcium 5-methyl-2-[[[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]-oxidanidyl-methylidene]amino]methyl]hexanoate

Systemtic Name: calcium 5-methyl-2-[[[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]-oxidanidyl-methylidene]amino]methyl]hexanoate Openeye Name: calcium 5-methyl-2-[[[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]-oxido-methylene]amino]methyl]hexanoate CAS Name: calcium 5-methyl-2-[[[[(1R)-2-methyl-1-(2-methyl-1-oxopropoxy)propoxy]-oxidomethylidene]amino]methyl]hexanoate IUPAC Name: calcium 5-methyl-2-[[[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]-oxidomethylidene]amino]methyl]hexanoate Traditional Name: calcium 2-[[[[(1R)-1-isobutyryloxy-2-methyl-propoxy]-oxido-methylene]amino]methyl]-5-methyl-hexanoate Formula: C17H29CaNO6 MolecularWeight: 383.49326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN=C([O-])OC(C(C)C)OC(=O)C(C)C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)CCC(CN=C([O-])O[C@@H](C(C)C)OC(=O)C(C)C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C17H31NO6.Ca/c1-10(2)7-8-13(14(19)20)9-18-17(22)24-16(12(5)6)23-15(21)11(3)4;/h10-13,16H,7-9H2,1-6H3,(H,18,22)(H,19,20);/q;+2/p-2/t13?,16-;/m0./s1