MF: C25H33CaFN3O7S+
MW: 578.7g/mol
IUPAC Name: calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Isomeric SMILES: CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)CC(C)(C)O.[Ca+2]
InChIKey: CAFCZSOQUHYFDK-QKPRLWPNSA-M
InChI: InChI=1S/C25H34FN3O7S.Ca/c1-15(2)22-20(11-10-18(30)12-19(31)13-21(32)33)23(16-6-8-17(26)9-7-16)28-24(27-22)29(5)37(35,36)14-25(3,4)34;/h6-11,15,18-19,30-31,34H,12-14H2,1-5H3,(H,32,33);/q;+2/p-1/b11-10+;/t18-,19-;/m1./s1
