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28978-07-6 | 7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, α-amino-5-oxo-, (αS,1R,2S,6R)-
CAS No: 28978-07-6 Catalog No: AG002V2R MDL No:
Product Description
Catalog Number:
AG002V2R
Chemical Name:
7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, α-amino-5-oxo-, (αS,1R,2S,6R)-
CAS Number:
28978-07-6
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
(2S)-2-amino-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
InChI:
InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5+,7-,8+/m1/s1
InChI Key:
KHVZXXWDPSCGEK-ROHCDXGRSA-N
SMILES:
OC(=O)[C@H](C[C@@H]1CCC(=O)[C@H]2[C@@H]1O2)N
NSC Number:
177854
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
Literature
| Title | Journal |
|---|---|
| Action and timing of BacC and BacD in the late stages of biosynthesis of the dipeptide antibiotic bacilysin. | Biochemistry 20130205 |
| Global regulatory systems operating in Bacilysin biosynthesis in Bacillus subtilis. | Journal of molecular microbiology and biotechnology 20110101 |
| Investigation of anticapsin biosynthesis reveals a four-enzyme pathway to tetrahydrotyrosine in Bacillus subtilis. | Biochemistry 20100209 |
| Role of Bacillus subtilis BacB in the synthesis of bacilysin. | The Journal of biological chemistry 20091113 |
| bac genes for recombinant bacilysin and anticapsin production in Bacillus host strains. | Archives of microbiology 20050201 |
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