# L-Lysine, L-prolyl-L-leucyl-L-alanyl-L-arginyl-L-threonyl-L-leucyl-L-seryl-L-valyl-L-alanylglycyl-L-leucyl-L-prolylglycyl-L-lysyl-trifluoroacetate

**CAS:** 2828433-13-0  
**PubChem CID:** [169449470](https://pubchem.ncbi.nlm.nih.gov/compound/169449470)  
**Molecular formula:** C70H123F3N20O20  
**Molar mass:** 1621.8 g/mol  
**IUPAC:** (2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid  
**SMILES:** `C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2)O.C(=O)(C(F)(F)F)O`  
**InChIKey:** `IENNPPKBZJUPDH-RXPJQNPPSA-N`  
**InChI:** `InChI=1S/C68H122N20O18.C2HF3O2/c1-35(2)29-46(83-57(95)42-21-16-26-73-42)60(98)77-40(10)56(94)81-44(22-17-27-74-68(71)72)59(97)87-54(41(11)90)65(103)84-47(30-36(3)4)61(99)85-49(34-89)62(100)86-53(38(7)8)64(102)78-39(9)55(93)75-32-52(92)80-48(31-37(5)6)66(104)88-28-18-23-50(88)63(101)76-33-51(91)79-43(19-12-14-24-69)58(96)82-45(67(105)106)20-13-15-25-70;3-2(4,5)1(6)7/h35-50,53-54,73,89-90H,12-34,69-70H2,1-11H3,(H,75,93)(H,76,101)(H,77,98)(H,78,102)(H,79,91)(H,80,92)(H,81,94)(H,82,96)(H,83,95)(H,84,103)(H,85,99)(H,86,100)(H,87,97)(H,105,106)(H4,71,72,74);(H,6,7)/t39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-;/m0./s1`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 642 Ų |
| Hydrogen bond donors | 22 |
| Hydrogen bond acceptors | 27 |
| Rotatable bonds | 49 |
| Heavy atoms | 113 |

## 3D structure

The molecule contains 236 atoms connected by 236 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/2828433-13-0/

## Synonyms

- 2828433-13-0
- SYNTIDE 2 TFA
- EX-A10863

## Data sources

- [PubChem CID 169449470](https://pubchem.ncbi.nlm.nih.gov/compound/169449470)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=2828433-13-0)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=2828433-13-0)

---

*Last updated: 2026-10-17 · Generator: MOL-GOD v3.12.33*