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26395-99-3 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-
CAS No: 26395-99-3 Catalog No: AG002T1B MDL No:MFCD00151456
Product Description
Catalog Number:
AG002T1B
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-
CAS Number:
26395-99-3
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.2416
MDL Number:
MFCD00151456
IUPAC Name:
7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)
InChI Key:
NVIAYEIXYQCDAN-UHFFFAOYSA-N
SMILES:
O=C1C(N)C2N1C(=C(CS2)C)C(=O)O
EC Number:
247-654-5
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.239g/mol
Monoisotopic Mass:
214.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
Literature
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| Continuous cultivations of a Penicillium chrysogenum strain expressing the expandase gene from Streptomyces clavuligerus: Growth yields and morphological characterization. | Biotechnology and bioengineering 20030805 |
| Enhanced enzymatic synthesis of a semi-synthetic cephalosprin, cefaclor, with in situ product removal. | Biotechnology letters 20030701 |
| Integrated reactor concepts for the enzymatic kinetic synthesis of cephalexin. | Biotechnology and bioengineering 20021020 |
| Quantitative characterization of the nucleophile reactivity in penicillin acylase-catalyzed acyl transfer reactions. | Biochimica et biophysica acta 20020923 |
| Advantages of using non-isothermal bioreactors for the enzymatic synthesis of antibiotics: the penicillin G acylase as enzyme model. | Biotechnology and bioengineering 20020805 |
| A two-step, one-pot enzymatic synthesis of cephalexin from D-phenylglycine nitrile. | Biotechnology and bioengineering 20020805 |
| Enzyme reaction engineering: effect of methanol on the synthesis of antibiotics catalyzed by immobilized penicillin G acylase under isothermal and non-isothermal conditions. | Biotechnology progress 20020101 |
| Modeling of the enzymatic kinetic synthesis of cephalexin--influence of substrate concentration and temperature. | Biotechnology and bioengineering 20010505 |
| Probing the penicillin sidechain selectivity of recombinant deacetoxycephalosporin C synthase. | Cellular and molecular life sciences : CMLS 20010501 |
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