IUPAC Name :calcium;(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxo-1-[[3-oxo-3-(2-sulfonatosulfanylethylamino)propyl]amino]butane
InChI :InChI=1/2C11H22N2O7S2.Ca/c2*1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21-22(18,19)20;/h2*9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20);/q;;+2/p-2/t2*9-;/m00./s1
Std.InChI: InChI=1S/2C11H22N2O7S2.Ca/c2*1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21-22(18,19)20;/h2*9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20);/q;;+2/p-2/t2*9-;/m00./s1
InChIKey :CILGDYPFLJJNKT-XIKRXVFJBT
Std.InChIKey: CILGDYPFLJJNKT-NAWJVIAPSA-L
SMILES :[Ca+2].O=S(=O)([O-])SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO.O=C(NCCC(=O)NCCSS([O-])(=O)=O)[C@H](O)C(C)(C)CO