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Product Overview

Product Code

TRC-L465882

Product Format

Neat

Molecular Formula

C59H75D4N15O21S6

Molecular Weight

1530.76

Product Categories

TRC, Agonist & antagonist analogues, Enzyme activators, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

851199-59-2

Documentation

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Product Information

Chemical Data

Analyte Name

Linaclotide-d4

Molecular Formula

C59H75D4N15O21S6

Molecular Weight

1530.76

SMILES

OC(CC[C@@H](NC([C@H](CSSC[C@@H](C(N[C@@](C(NC1)=O)([H])[C@@H](C)O)=O)NC2=O)N3)=O)C(N[C@H](CC4=CC=C(O)C=C4)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CC5=CC=C(O)C=C5)C(O)=O)=O)NC1=O)C(N[C@@H](C(N[C@H](C(N6CCC[C@@]6([H])C(N[C@@]2([2H])C([2H])([2H])[2H])=O)=O)CC(N)=O)=O)CSSC[C@H](N)C3=O)=O)=O)=O)=O

InChI

InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,46?/m0/s1/i1D3,26D

Unlabelled CAS Number

851199-59-2

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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