Account 4-Methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Catalog No. :
- ACZXUP581
- CAS No. :
- 134203-90-0
- Molecular Formula :
- C34H42ClN5O10S2
- Molecular Weight :
- 780.32
IUPAC Name:4-methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
![4-Methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-Methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
|---|---|
| IUPAC Name | 4-methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Formula | C34H42ClN5O10S2 |
| Molecular Weight | 780.32 |
| SMILES | COC1=CC=C(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)C4=CSC(NC(=O)OC(C)(C)C)=N4)C(=O)N23)C=C1 |
| InChI Key | BCFFKAGVEGSVRL-YIXXDRMTSA-N |
| Synonym | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-7-[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl][[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]acetyl]amino]-8-oxo-, (4-methoxyphenyl)methyl ester, (6R-trans)- (9CI) |
| CAS No. | 134203-90-0 |
Synthetic Route by SureRoute
2. ACZXUP581 Molecular Building Block Synthetic Route
4-Methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide
(Pivaloyloxy)methyl (6R,7R)-7-((Z)-2-(methoxyimino)-2-(2-pivalamidothiazol-4-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (contains ca. 10% Na2CO3)