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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 |