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Product Overview

Product Code

TRC-A794100

CAS Number

163768-50-1

Product Format

Neat

Molecular Formula

C40H67N5O8 • x(C2HF3O2)

Molecular Weight

745.9911402

API Family

Auristatin F

Product Categories

TRC, API Reference Standards & Research Materials, Additional Cancer Bioactive Molecules, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule, API

Documentation

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Product Information

Chemical Data

Analyte Name

Auristatin F TFA Salt

CAS Number

163768-50-1

Molecular Formula

C40H67N5O8 • x(C2HF3O2)

Molecular Weight

745.9911402

SMILES

O=C(N[C@H](C(C)C)C(N(C)[C@H](C(CC)C)[C@H](OC)CC(N1CCC[C@@]1([H])[C@@H](OC)[C@@H](C)C(N[C@@H](C(O)=O)CC2=CC=CC=C2)=O)=O)=O)[C@@H](N(C)C)C(C)C

InChI

InChI=1S/C40H67N5O8/c1-13-26(6)35(44(10)39(49)33(24(2)3)42-38(48)34(25(4)5)43(8)9)31(52-11)23-32(46)45-21-17-20-30(45)36(53-12)27(7)37(47)41-29(40(50)51)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,47)(H,42,48)(H,50,51)/t26-,27+,29-,30-,31+,33-,34-,35-,36+/m0/s1

IUPAC

(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Auristatin F

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