# COG133 (trifluoroacetate salt)

**CAS:** 2828432-37-5  
**PubChem CID:** [163336983](https://pubchem.ncbi.nlm.nih.gov/compound/163336983)  
**Molecular formula:** C99H182F3N37O21  
**Molar mass:** 2283.7 g/mol  
**IUPAC:** (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]hexanamide;2,2,2-trifluoroacetic acid  
**SMILES:** `C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C.C(=O)(C(F)(F)F)O`  
**InChIKey:** `YRYTWYOGXATSSP-BGJGLIJFSA-N`  
**InChI:** `InChI=1S/C97H181N37O19.C2HF3O2/c1-50(2)40-67(76(100)137)127-89(150)72(45-55(11)12)130-82(143)64(30-23-37-114-95(105)106)122-78(139)60(26-17-19-33-98)120-79(140)62(28-21-35-112-93(101)102)123-87(148)70(43-53(7)8)129-81(142)61(27-18-20-34-99)121-80(141)63(29-22-36-113-94(103)104)124-88(149)71(44-54(9)10)131-90(151)73(46-59-47-111-49-117-59)132-91(152)74(48-135)133-77(138)57(15)118-85(146)69(42-52(5)6)128-83(144)65(31-24-38-115-96(107)108)126-92(153)75(56(13)14)134-84(145)66(32-25-39-116-97(109)110)125-86(147)68(41-51(3)4)119-58(16)136;3-2(4,5)1(6)7/h47,49-57,60-75,135H,17-46,48,98-99H2,1-16H3,(H2,100,137)(H,111,117)(H,118,146)(H,119,136)(H,120,140)(H,121,141)(H,122,139)(H,123,148)(H,124,149)(H,125,147)(H,126,153)(H,127,150)(H,128,144)(H,129,142)(H,130,143)(H,131,151)(H,132,152)(H,133,138)(H,134,145)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116);(H,6,7)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-;/m0./s1`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 986 Ų |
| Hydrogen bond donors | 38 |
| Hydrogen bond acceptors | 32 |
| Rotatable bonds | 83 |
| Heavy atoms | 160 |

## 3D structure

The molecule contains 342 atoms connected by 341 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/2828432-37-5/

## Synonyms

- COG 133 TFA
- COG133 (trifluoroacetate salt)
- 2828432-37-5
- Cog 133 trifluoroacetate
- COG 133?
- AS-89734
- G72063

## Data sources

- [PubChem CID 163336983](https://pubchem.ncbi.nlm.nih.gov/compound/163336983)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=2828432-37-5)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=2828432-37-5)

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*Last updated: 2026-10-27 · Generator: MOL-GOD v3.12.33*