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Product Overview

Product Code

TRC-B676670

CAS Number

156161-89-6

Product Format

Neat

Molecular Formula

C34 H50 N5 O7 . Na

Molecular Weight

663.78

Product Categories

TRC, Enzyme agonists & antagonists

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

sodium;(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethyl-pentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

CAS Number

156161-89-6

Molecular Formula

C34 H50 N5 O7 . Na

Molecular Weight

663.78

Accurate Mass

663.3608

SMILES

[Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@H](C)CCC[C@@H]3C)C(=O)[O-]

InChI

InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1

IUPAC

sodium;(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethyl-pentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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BQ 788

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