calcium salt)

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 38
Total Number of Articles : 38
PubChem 168266253
Molecular Formula

C33H33CaF2N2O5+

SMILES

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4.[Ca+2]

InChI

InChI=1S/C33H34F2N2O5.Ca/c1-20(2)31-30(33(42)36-25-6-4-3-5-7-25)29(21-8-12-23(34)13-9-21)32(22-10-14-24(35)15-11-22)37(31)17-16-26(38)18-27(39)19-28(40)41;/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41);/q;+2/p-1

synonyms
  • calcium salt)
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Properties
Property Value
MW 615.7 g/mol
HBD 3
HBA 7
Rotatable Bond Count 11
Exact Mass 615.1983443 g/mol
Monoisotopic Mass 615.1983443 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 2
Complexity 850
xlogp None
Topological Polar Surface Area 115