Account (2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide 2,2,2-trifluoroacetate
- Catalog No. :
- ACPNPO499
- CAS No. :
- -
- Molecular Formula :
- C42H60F3N7O8S
- Molecular Weight :
- 880.04
IUPAC Name:(2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide, 2,2,2-trifluoroacetate salt
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Product Information
| Product Name | (2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide 2,2,2-trifluoroacetate |
|---|---|
| IUPAC Name | (2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide, 2,2,2-trifluoroacetate salt |
| Molecular Formula | C42H60F3N7O8S |
| Molecular Weight | 880.04 |
| SMILES | [H][C@@](C(N)=O)(CCSC)NC([C@](N(C)C([C@]1([H])CCCN1C(C(NC([C@](NC(CCCCN)=O)([H])CC2=CC=CC=C2)=O)([H])CC3=CC=CC=C3)=O)=O)([H])CC(C)C)=O.FC(F)(C(O)=O)F |
| InChI Key | OUMQXHIVZNAWLU-NLARUGLRSA-N |
Synthetic Route by SureRoute
2. ACPNPO499 Molecular Building Block Synthetic Route
(2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide hemiacetate
(2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide
(2S)-N-((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((5-aminopentanoyl)-L-phenylalanylphenylalanyl)-N-methylpyrrolidine-2-carboxamide hydrochloride