Cas no 80929-58-4 (2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate)
![2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure](https://ossimg.kuujia.com/scimg/81000/80929-58-4x500.png)
80929-58-4 structure
Product Name:2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No:80929-58-4
MF:C23H27N3O8S2
MW:537.605783700943
CID:733144
Update Time:2023-08-03
2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- (9CI)
- (6R,7R)-3-[(Acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
- 2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)am
- 2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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- Inchi： 1S/C23H27N3O8S2/c1-13(27)32-9-14-10-36-20-17(25-16(28)11-35-15-5-7-24-8-6-15)19(29)26(20)18(14)21(30)33-12-34-22(31)23(2,3)4/h5-8,17,20H,9-12H2,1-4H3,(H,25,28)/t17-,20-/m1/s1
- InChI Key： UBHLTUZDHSKDKX-YLJYHZDGSA-N
- SMILES： S1CC(COC(C)=O)=C(C(=O)OCOC(C(C)(C)C)=O)N2C([C@H]([C@@H]12)NC(CSC1C=CN=CC=1)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 36
- Rotatable Bond Count: 13
- Complexity: 927
- XLogP3: 1.6
- Topological Polar Surface Area: 192
2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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