Bromoacetyl-S-Pantetheine 11-Pivalate
[CAS# 105514-56-5]

Identification

• Name: Bromoacetyl-S-Pantetheine 11-Pivalate
• Synonyms: [(3R)-4-[[3-[2-(2-Bromoacetyl)Sulfanylethylamino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butyl] 2,2-Dimethylpropanoate; 2,2-Dimethylpropanoic Acid [(3R)-4-[[3-[2-[(2-Bromo-1-Oxoethyl)Thio]Ethylamino]-3-Oxopropyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxobutyl] Ester; 2,2-Dimethylpropionic Acid [(3R)-4-[[3-[2-[(2-Bromoacetyl)Thio]Ethylamino]-3-Keto-Propyl]Amino]-3-Hydroxy-4-Keto-2,2-Dimethyl-Butyl] Ester
• Molecular Formula: C₁₈H₃₁BrN₂O₆S
• Molecular Weight: 483.42
• CAS Registry Number: 105514-56-5
• SMILES: [C@@H](C(COC(C(C)(C)C)=O)(C)C)(C(=O)NCCC(=O)NCCSC(=O)CBr)O
• InChI: 1S/C18H31BrN2O6S/c1-17(2,3)16(26)27-11-18(4,5)14(24)15(25)21-7-6-12(22)20-8-9-28-13(23)10-19/h14,24H,6-11H2,1-5H3,(H,20,22)(H,21,25)/t14-/m0/s1
• InChIKey: LFFLFOKPBPEUNL-AWEZNQCLSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 641.745°C at 760 mmHg (Cal.)
• Flash point: 341.916°C (Cal.)