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Product Overview

Product Code

TRC-R181105

Product Format

Neat

Molecular Formula

C34H55N13O10S • x C2HF3O2

Product Categories

TRC

Alternate CAS Number

130308-48-4

Documentation

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Product Information

Chemical Data

Analyte Name

Icatibant Peptide Fragment [1-7] TFA Salt

Molecular Formula

C34H55N13O10S • x C2HF3O2

SMILES

OCC(C(O)=O)NC([C@H](CC1=CC=CS1)NC(CNC(C2N(C[C@@H](C2)O)C(C3N(CCC3)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

InChI

InChI=1S/C34H55N13O10S.C2HF3O2/c35-20(6-1-9-40-33(36)37)27(51)44-21(7-2-10-41-34(38)39)30(54)46-11-3-8-24(46)31(55)47-16-18(49)13-25(47)29(53)42-15-26(50)43-22(14-19-5-4-12-58-19)28(52)45-23(17-48)32(56)57;3-2(4,5)1(6)7/h4-5,12,18,20-25,48-49H,1-3,6-11,13-17,35H2,(H,42,53)(H,43,50)(H,44,51)(H,45,52)(H,56,57)(H4,36,37,40)(H4,38,39,41);(H,6,7)/t18-,20-,21+,22+,23?,24?,25?;/m1./s1

IUPAC

((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)serine--2,2,2-trifluoroacetic acid (1/1)

Alternate CAS Number

130308-48-4

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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