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Apamin TFA Salt

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Referencia TRC-A726115-5MG

embalaje : 5mg

Marca : Toronto Research Chemicals

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Apamin TFA Salt

Product Code

TRC-A726115

Product Format

Neat

Molecular Formula

C79H131N31O24S4 . x(C2HF3O2)

Alternate CAS Number

TFA free: 24345-16-2

Documentation

Product Information

Chemical Data

Analyte Name

Apamin TFA Salt

Molecular Formula

C79H131N31O24S4 . x(C2HF3O2)

SMILES

N[C@@H](CSSC[C@H](NC([C@H](CC(C)C)NC([C@@H](N1)C)=O)=O)C(C([C@@H](NC([C@H](CCCNC(N)=N)N2)=O)C)=O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CSSC[C@H](NN[C@@H](CCCNC(N)=N)C2=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N)=O)CC3=CN=CN3)=O)=O)=O)C(N[C@@H](CCCCN)C(N[C@H](C(N4CCC[C@H]4C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C1=O)=O)=O)=O)C)=O)=O)=O)=O.OC(C(F)(F)F)=O

InChI

InChI=1S/C79H131N31O24S4.C2HF3O2/c1-35(2)26-49-71(128)105-51-31-136-135-30-41(81)64(121)104-50(28-57(84)114)72(129)106-52(73(130)98-42(12-7-8-22-80)66(123)96-38(5)77(134)110-25-11-15-54(110)75(132)101-46(18-21-58(115)116)69(126)107-59(39(6)111)76(133)95-37(4)63(120)103-49)32-137-138-33-53(109-108-47(14-10-24-92-79(88)89)70(127)97-43(13-9-23-91-78(86)87)65(122)94-36(3)60(117)61(51)118)74(131)100-44(16-19-55(82)112)67(124)99-45(17-20-56(83)113)68(125)102-48(62(85)119)27-40-29-90-34-93-40;3-2(4,5)1(6)7/h29,34-39,41-54,59,108-109,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,119)(H,90,93)(H,94,122)(H,95,133)(H,96,123)(H,97,127)(H,98,130)(H,99,124)(H,100,131)(H,101,132)(H,102,125)(H,103,120)(H,104,121)(H,105,128)(H,106,129)(H,107,126)(H,115,116)(H4,86,87,91)(H4,88,89,92);(H,6,7)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-;/m0./s1

IUPAC

3-((3S,6S,9S,12S,15R,18S,21S,24S,27R,32R,35S,38S,43aS,46S,49R)-49-amino-27-(((S)-5-amino-1-(((S)-5-amino-1-(((S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)-46-(2-amino-2-oxoethyl)-35-(4-aminobutyl)-21,24-bis(3-guanidinopropyl)-6-((R)-1-hydroxyethyl)-12-isobutyl-9,18,38-trimethyl-1,4,7,10,11,16,19,20,23,33,36,39,45,48-tetradecaoxotetracontahydro-31H-32,15-(epiminoethanoiminopropanodithiomethano)pyrrolo[2,1-e1][1,2]dithia[5,6,9,14,17,18,23,26,29,32,35,38]dodecaazacyclohentetracontin-3-yl)propanoic acid TFA Salt

Alternate CAS Number

TFA free: 24345-16-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat