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 hemiacetate
- Catalog No. :
- ACDRLD418
- CAS No. :
- -
- Molecular Formula :
- C42H63N7O8S
- Molecular Weight :
- 826.07
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, acetate 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 hemiacetate |
|---|---|
| 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, acetate salt |
| Molecular Formula | C42H63N7O8S |
| Molecular Weight | 826.07 |
| SMILES | CC(O)=O.[H][C@@](CCSC)(NC([C@]([H])(CC(C)C)N(C([C@@]1(CCCN1C(C([H])(CC2=CC=CC=C2)NC([C@]([H])(CC3=CC=CC=C3)NC(CCCCN)=O)=O)=O)[H])=O)C)=O)C(N)=O |
| InChI Key | JPTHKLGOFVAHTM-NLARUGLRSA-N |
Synthetic Route by SureRoute
2. ACDRLD418 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
(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
(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