calcium (3S)-5-methyl-3-[[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]methyl]hexanoate

Systemtic Name: calcium (3S)-5-methyl-3-[[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]methyl]hexanoate Openeye Name: calcium (3S)-5-methyl-3-[[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]methyl]hexanoate CAS Name: calcium (3S)-5-methyl-3-[[[[(1S)-2-methyl-1-(2-methyl-1-oxopropoxy)propoxy]-oxomethyl]amino]methyl]hexanoate IUPAC Name: calcium (3S)-5-methyl-3-[[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]methyl]hexanoate Traditional Name: calcium (3S)-3-[[[(1S)-1-isobutyryloxy-2-methyl-propoxy]carbonylamino]methyl]-5-methyl-hexanoate Formula: C34H60CaN2O12 MolecularWeight: 728.9244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H31NO6.Ca/c2*1-10(2)7-13(8-14(19)20)9-18-17(22)24-16(12(5)6)23-15(21)11(3)4;/h2*10-13,16H,7-9H2,1-6H3,(H,18,22)(H,19,20);/q;;+2/p-2/t2*13-,16-;/m00./s1