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Product Overview

Product Code

TRC-M425460

Product Format

Neat

Molecular Formula

C50H76N14O19S6 . x(C 2HF3O2)

Molecular Weight

1483.6

Product Categories

TRC

Alternate CAS Number

832118-08-8

Documentation

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Product Information

Chemical Data

Analyte Name

L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteine trifluoroacetic acid

Molecular Formula

C50H76N14O19S6 . x(C 2HF3O2)

Molecular Weight

1483.6

SMILES

OC1=CC=C(C[C@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)CS)=O)CCC(O)=O)=O)C(N[C@@H](CS)C(N[C@@H](CS)C(N[C@@H](CC(N)=O)C(N2CCC[C@H]2C(N[C@@H](C)C(N[C@@H](CS)C(N[C@H](C(NCC(N[C@@H](CS)C(O)=O)=O)=O)[C@H](O)C)=O)=O)=O)=O)=O)=O)=O)C=C1.OC(C(F)(F)F)=O

InChI

InChI=1S/C50H76N14O19S6.C2HF3O2/c1-21(39(71)59-32(19-88)46(78)63-38(22(2)65)48(80)53-14-36(68)55-33(20-89)50(82)83)54-47(79)34-4-3-11-64(34)49(81)28(13-35(52)67)58-44(76)30(17-86)62-45(77)31(18-87)61-42(74)27(12-23-5-7-24(66)8-6-23)57-41(73)26(9-10-37(69)70)56-43(75)29(16-85)60-40(72)25(51)15-84;3-2(4,5)1(6)7/h5-8,21-22,25-34,38,65-66,84-89H,3-4,9-20,51H2,1-2H3,(H2,52,67)(H,53,80)(H,54,79)(H,55,68)(H,56,75)(H,57,73)(H,58,76)(H,59,71)(H,60,72)(H,61,74)(H,62,77)(H,63,78)(H,69,70)(H,82,83);(H,6,7)/t21-,22+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,38-;/m0./s1

Alternate CAS Number

832118-08-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

Documentation

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Chemical Data

Product Data

Product citations

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MM-419447 (Linaclotide Metabolite) Trifluoroacetic acid

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