calcium 6-[2,2-bis[di(propan-2-yl)amino]ethanoyloxy]-2,3,4,5-tetrakis(oxidanyl)hexanoic acid

Systemtic Name: calcium 6-[2,2-bis[di(propan-2-yl)amino]ethanoyloxy]-2,3,4,5-tetrakis(oxidanyl)hexanoic acid Openeye Name: calcium 6-[2,2-bis(diisopropylamino)acetyl]oxy-2,3,4,5-tetrahydroxy-hexanoic acid CAS Name: calcium 6-[2,2-bis[di(propan-2-yl)amino]-1-oxoethoxy]-2,3,4,5-tetrahydroxyhexanoic acid IUPAC Name: calcium 6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid Traditional Name: calcium 6-[2,2-bis(diisopropylamino)acetyl]oxy-2,3,4,5-tetrahydroxy-hexanoic acid Formula: C20H40CaN2O8+2 MolecularWeight: 476.6182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H40N2O8.Ca/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28;/h10-18,23-26H,9H2,1-8H3,(H,27,28);/q;+2