Alexamorelin Trifluoroacetic Acid Salt

Analyte Name

Alexamorelin Trifluoroacetic Acid Salt

Molecular Formula

C50 H63 N13 O7 . x(C2 H F3 O2)

SMILES

C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc2c(C)[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@H](Cc6ccccc6)C(=O)N[C@@H](CCCCN)C(=O)N.OC(=O)C(F)(F)F

InChI

InChI=1S/C50H63N13O7.C2HF3O2/c1-28(52)45(65)60-42(23-33-26-54-27-56-33)50(70)63-43(24-36-29(2)57-38-18-10-8-16-35(36)38)47(67)58-30(3)46(66)61-41(22-32-25-55-37-17-9-7-15-34(32)37)49(69)62-40(21-31-13-5-4-6-14-31)48(68)59-39(44(53)64)19-11-12-20-51;3-2(4,5)1(6)7/h4-10,13-18,25-28,30,39-43,55,57H,11-12,19-24,51-52H2,1-3H3,(H2,53,64)(H,54,56)(H,58,67)(H,59,68)(H,60,65)(H,61,66)(H,62,69)(H,63,70);(H,6,7)/t28-,30-,39-,40+,41-,42-,43+;/m0./s1

IUPAC

(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide;2,2,2-trifluoroacetic acid

Alternate CAS Number

Free base: 196808-85-2

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)