Bivalirudin Plus-Gly Fragment Trifluoroacetic Acid Salt (Impurity)

Ref. TR-B591655

Produktinformation

• Name: Bivalirudin Plus-Gly Fragment Trifluoroacetic Acid Salt (Impurity)
• Synonyme: D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycylglycyl-L-α-aspartyl-L-phenylalanyl-L-α-glutamyl-L-α-glutamyl-L-isoleucyl-L-prolyl-L-α-glutamyl-L-α-glutamyl-L-tyrosyl-L-leucine Trifluoroacetic Acid Salt
• Marke: TRC
• Beschreibung: Applications Impurity of Bivalirudin, a direct thrombin inhibitor acting as an anticoagulant through inhibition of the enzyme thrombin.References Bertrand, O. et al.: Am. J. Cardio., 110, 599 (2012); Patti, G. et al.: Am. J. Cardio., 110, 478 (2012)

Chemische Eigenschaften

• Molekulargewicht: 2237.34 + x(114.02)
• Formel: C₁₀₀H₁₄₁N₂₅O₃₄•xC₂HF₃O₂
• Farbe/Form: Neat
• InChl: InChI=1S/C100H139N25O33.C2HF3O2/c1-5-55(4)86(88(147)87(146)71-21-13-37-123(71)98(157)65(31-35-84(142)143)117-92(151)64(30-34-83(140)141)120-121-70(43-58-24-26-61(128)27-25-58)95(154)111-59(52-126)40-54(2)3)119-91(150)63(29-33-82(138)139)115-90(149)62(28-32-81(136)137)116-93(152)67(42-57-18-10-7-11-19-57)118-94(153)69(45-85(144)145)114-80(135)51-108-77(132)48-109-89(148)68(44-74(101)129)113-79(134)50-107-76(131)47-105-75(130)46-106-78(133)49-110-96(155)72-22-14-38-124(72)99(158)66(20-12-36-104-100(102)103)122-125-39-15-23-73(125)97(156)112-60(53-127)41-56-16-8-6-9-17-56;3-2(4,5)1(6)7/h6-11,16-19,24-27,54-55,59-60,62-73,86,120-122,128H,5,12-15,20-23,28-51H2,1-4H3,(H2,101,129)(H,105,130)(H,106,133)(H,107,131)(H,108,132)(H,109,148)(H,110,155)(H,111,154)(H,112,156)(H,113,134)(H,114,135)(H,115,149)(H,116,152)(H,117,151)(H,118,153)(H,119,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H4,102,103,104);(H,6,7)/t55-,59-,60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,86-;/m0./s1
• InChI Key: InChIKey=IJFDVKMQWZEMLY-NGYZTTCESA-N
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NN1CCC[C@H]1C(=O)N[C@H]([C]=O)Cc1ccccc1)C(=O)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C]=O)CC(C)C.O=C(O)C(F)(F)F.[2H]