Name: 4-L-Glutamic Acid Desmopressin TFA Salt
Brand: TRC
SKU: TRC-G296705-25MG

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Product Overview

Product Code

TRC-G296705-25MG

Product Format

Neat

Molecular Formula

C46H63N13O13S2 • (C2HF3O2)

Molecular Weight

1183.4

Product Categories

TRC, Impurity Reference Materials

Documentation

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Product Information

Chemical Data

Analyte Name

4-L-Glutamic Acid Desmopressin TFA Salt

Molecular Formula

C46H63N13O13S2 • (C2HF3O2)

Molecular Weight

1183.4

Accurate Mass

1184.22

SMILES

O=C(N1CCC[C@H]1C(N[C@H](C(NCC(N)=O)=O)CCCNC(N)=N)=O)[C@@H](NC([C@H](CC(N)=O)NC([C@H](CCC(O)=O)NC([C@]([H])(CC2=CC=CC=C2)N3)=O)=O)=O)CSSCCC(N[C@@H](CC4=CC=C(C=C4)O)C3=O)=O.O=C(O)C(F)(F)F

InChI

InChI=1S/C46H63N13O13S2.C2HF3O2/c47-35(61)22-32-43(70)58-33(45(72)59-18-5-9-34(59)44(71)55-28(8-4-17-51-46(49)50)39(66)52-23-36(48)62)24-74-73-19-16-37(63)53-30(21-26-10-12-27(60)13-11-26)41(68)56-31(20-25-6-2-1-3-7-25)42(69)54-29(40(67)57-32)14-15-38(64)65;3-2(4,5)1(6)7/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24H2,(H2,47,61)(H2,48,62)(H,52,66)(H,53,63)(H,54,69)(H,55,71)(H,56,68)(H,57,67)(H,58,70)(H,64,65)(H4,49,50,51);(H,6,7)/t28-,29-,30-,31-,32-,33-,34-;/m0./s1

IUPAC

2,2,2-trifluoroacetic acid--3-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-4-((S)-2-(((S)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl)propanoic acid (1/1)

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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