Calcium (2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxo-1-[[3-Oxo-3-(2-Sulfonatosulfanylethylamino)Propyl]Amino]Butane
[CAS# 34644-00-3]

Identification

• Name: Calcium (2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxo-1-[[3-Oxo-3-(2-Sulfonatosulfanylethylamino)Propyl]Amino]Butane
• Synonyms: Calcium (2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxo-1-[[3-Oxo-3-[2-(Sulfonatothio)Ethylamino]Propyl]Amino]Butane; Calcium 1-[3-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]-2-(Sulfonatothio)Ethane
• Molecular Formula: C₂₂H₄₂CaN₄O₁₄S₄
• Molecular Weight: 754.91
• CAS Registry Number: 34644-00-3
• SMILES: [C@H](C(NCCC(NCCS[S](=O)(=O)[O-])=O)=O)(C(CO)(C)C)O.[C@H](C(NCCC(NCCS[S](=O)(=O)[O-])=O)=O)(C(CO)(C)C)O.[Ca++]
• 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-NAWJVIAPSA-L