Icatibant Peptide Fragment [1-8] TFA Salt

Product Specifications

Synonyms

Impruity of Icatibant Peptide Fragment [1-8]-ITBT; D-Arg-Arg-Pro-Hyp-Gly- Thi-Ser-D-Tic-OH RRT 1.08 TFA Salt

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

OCC(C(N1[C@H](CC2=C(C1)C=CC=C2)C(O)=O)=O)NC([C@H](CC3=CC=CS3)NC(CNC(C4N(C[C@@H](C4)O)C(C5N(CCC5)C([C@@H](NC([C@@H](CCC/N=C(N)\N)N)=O)CCC/N=C(N)\N)=O)=O)=O)=O)=O.FC(F)(C(O)=O)F

Molecular Formula

C44H64N14O11S • x C2HF3O2

InChI

InChI=1S/C44H64N14O11S.C2HF3O2/c45-28(10-3-13-50-43(46)47)36(62)54-29(11-4-14-51-44(48)49)39(65)56-15-5-12-32(56)41(67)58-22-26(60)18-33(58)38(64)52-20-35(61)53-30(19-27-9-6-16-70-27)37(63)55-31(23-59)40(66)57-21-25-8-2-1-7-24(25)17-34(57)42(68)69;3-2(4,5)1(6)7/h1-2,6-9,16,26,28-34,59-60H,3-5,10-15,17-23,45H2,(H,52,64)(H,53,61)(H,54,62)(H,55,63)(H,68,69)(H4,46,47,50)(H4,48,49,51);(H,6,7)/t26-,28-,29+,30+,31?,32?,33?,34-;/m1./s1

Additionnal Information

IUPAC name: (3R)-2-(((2S)-2-(2-((4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)seryl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid--2,2,2-trifluoroacetic acid (1/1)

Shipping Conditions

Room Temperature

Storage Conditions

-20°C