Account (S)-Benzyl 3-((tert-butoxycarbonyl)amino)-4-(4-(3-nitro-1H-1,2,4-triazol-1-yl)-2-oxopyrimidin-1(2H)-yl)butanoate
- Catalog No. :
- ACBILB586
- CAS No. :
- 517877-38-2
- Molecular Formula :
- C22H25N7O7
- Molecular Weight :
- 499.48
IUPAC Name:benzyl (S)-3-((tert-butoxycarbonyl)amino)-4-(4-(3-nitro-1H-1,2,4-triazol-1-yl)-2-oxopyrimidin-1(2H)-yl)butanoate
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Product Information
| Product Name | (S)-Benzyl 3-((tert-butoxycarbonyl)amino)-4-(4-(3-nitro-1H-1,2,4-triazol-1-yl)-2-oxopyrimidin-1(2H)-yl)butanoate |
|---|---|
| IUPAC Name | benzyl (S)-3-((tert-butoxycarbonyl)amino)-4-(4-(3-nitro-1H-1,2,4-triazol-1-yl)-2-oxopyrimidin-1(2H)-yl)butanoate |
| Molecular Formula | C22H25N7O7 |
| Molecular Weight | 499.48 |
| SMILES | O=C(OCC1=CC=CC=C1)C[C@H](NC(OC(C)(C)C)=O)CN2C=CC(N3N=C([N+]([O-])=O)N=C3)=NC2=O |
| InChI Key | UJDYYROFABVEGL-INIZCTEOSA-N |
| Synonym | 1(2H)-Pyrimidinebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-nitro-1H-1,2,4-triazol-1-yl)-2-oxo-, phenylmethyl ester, (βS)- |
| CAS No. | 517877-38-2 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACBILB586 Molecular Building Block Synthetic Route
(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-(1H-1,2,4-triazol-1-yl)pyrimidin-1(2H)-yl)tetrahydrofuran-3-yl acetate
(2R,3S,4R,5R)-2-Azido-2-((benzoyloxy)methyl)-5-(2-oxo-4-(1H-1,2,4-triazol-1-yl)pyrimidin-1(2H)-yl)tetrahydrofuran-3,4-diyl dibenzoate
(2R,3R,3aR,4aS,5aR,5bR)-3-Fluoro-2-(5-methyl-2-oxo-4-(1H-1,2,4-triazol-1-yl)pyrimidin-1(2H)-yl)octahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-3a,5a-diyl diacetate