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Product Overview

Product Code

TRC-S224525

Product Format

Neat

Molecular Formula

C39 H72 N8 O11 . C2 H F3 O2

Molecular Weight

943.059

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

H-Ala-Leu-Ile-Leu-Thr-Leu-Val-Ser-OH trifluoroacetate salt

Molecular Formula

C39 H72 N8 O11 . C2 H F3 O2

Molecular Weight

943.059

Accurate Mass

942.525

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O.OC(=O)C(F)(F)F

InChI

InChI=1S/C39H72N8O11.C2HF3O2/c1-13-22(10)30(46-34(52)25(14-18(2)3)41-32(50)23(11)40)37(55)42-27(16-20(6)7)35(53)47-31(24(12)49)38(56)43-26(15-19(4)5)33(51)45-29(21(8)9)36(54)44-28(17-48)39(57)58;3-2(4,5)1(6)7/h18-31,48-49H,13-17,40H2,1-12H3,(H,41,50)(H,42,55)(H,43,56)(H,44,54)(H,45,51)(H,46,52)(H,47,53)(H,57,58);(H,6,7)/t22-,23-,24+,25-,26-,27-,28-,29-,30-,31-;/m0./s1

IUPAC

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid;2,2,2-trifluoroacetic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Sex Pheromone Inhibitor iPD1 Trifluoroacetate Salt

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