calcium 4-[3-[(butanoylamino)methyl]heptan-4-yloxy]-4-oxidanylidene-butanoate

Systemtic Name: calcium 4-[3-[(butanoylamino)methyl]heptan-4-yloxy]-4-oxidanylidene-butanoate Openeye Name: calcium 4-[2-[(butanoylamino)methyl]-1-propyl-butoxy]-4-oxo-butanoate CAS Name: calcium 4-oxo-4-[3-[(1-oxobutylamino)methyl]heptan-4-yloxy]butanoate IUPAC Name: calcium 4-[3-[(butanoylamino)methyl]heptan-4-yloxy]-4-oxobutanoate Traditional Name: calcium 4-[2-(butyramidomethyl)-1-propyl-butoxy]-4-keto-butyrate Formula: C32H56CaN2O10 MolecularWeight: 668.87244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H29NO5.Ca/c2*1-4-7-13(22-16(21)10-9-15(19)20)12(6-3)11-17-14(18)8-5-2;/h2*12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20);/q;;+2/p-2