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Palmitoyl dipeptide-5 diaminobutyroyl hydroxythreonine

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Catalog Number CI-BP-0062
Product Name Palmitoyl dipeptide-5 diaminobutyroyl hydroxythreonine
CAS 883558-32-5
Synonyms Pal-Lys-Val-Dab-Thr-OH
IUPAC Name (2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxybutanoic acid;2,2,2-trifluoroacetic acid
Molecular Weight 913 g/mol
Molecular Formula C39H70F6N6O11
InChI InChI=1S/C35H68N6O7.2C2HF3O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29(43)38-27(20-18-19-23-36)32(44)40-30(25(2)3)34(46)39-28(22-24-37)33(45)41-31(26(4)42)35(47)48;2*3-2(4,5)1(6)7/h25-28,30-31,42H,5-24,36-37H2,1-4H3,(H,38,43)(H,39,46)(H,40,44)(H,41,45)(H,47,48);2*(H,6,7)/t26-,27+,28+,30+,31+;;/m1../s1
InChI Key MCCUAUFXOWFEEM-LAUWSANRSA-N
Isomeric SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
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