Products 2522933-45-3
CAS 2522933-45-3 is the registry number for Dazdotuftide (TFA). Offered by: MedChemExpress. Available pack sizes: Get quote.
[4-[[5-[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-2-carboxyethyl]-2-hydroxyphenyl]diazenyl]phenyl] 2-(trimethylazaniumyl)ethyl phosphate;2,2,2-trifluoroacetic acid (CAS 2522933-45-3) is a chemical compound with the molecular formula C45H69F3N13O15P and a molecular weight of 1120.1 g/mol. IUPAC name: [4-[[5-[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-2-carboxyethyl]-2-hydroxyphenyl]diazenyl]phenyl] 2-(trimethylazaniumyl)ethyl phosphate;2,2,2-trifluoroacetic acid. InChIKey: FGKOZYLBDQGCJA-ZZFXKBOKSA-N.
| Molecular formula | C45H69F3N13O15P |
|---|---|
| Molecular weight | 1120.1 g/mol |
| IUPAC name | [4-[[5-[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-2-carboxyethyl]-2-hydroxyphenyl]diazenyl]phenyl] 2-(trimethylazaniumyl)ethyl phosphate;2,2,2-trifluoroacetic acid |
| InChIKey | FGKOZYLBDQGCJA-ZZFXKBOKSA-N |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=CC(=C(C=C2)O)N=NC3=CC=C(C=C3)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)O)N)O.C(=O)(C(F)(F)F)O |
Computed by PubChem (NCBI)
Synonyms:
Dazdotuftide trifluoroacetate, orb2563773