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Home > Other Heterocycles > 29393-20-2
29393-20-2 | L-Alanine, L-alanyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-
CAS No: 29393-20-2 Catalog No: AG001CCW MDL No:
Product Description
Catalog Number:
AG001CCW
Chemical Name:
L-Alanine, L-alanyl-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-
CAS Number:
29393-20-2
Molecular Formula:
C12H18N2O5
Molecular Weight:
270.2817
IUPAC Name:
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
InChI:
InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1
InChI Key:
XFOUAXMJRHNTOP-PFQXTLEHSA-N
SMILES:
C[C@@H](C(=O)N[C@H](C(=O)O)C[C@@H]1CCC(=O)[C@H]2[C@@H]1O2)N
UNII:
90R5Q4BW17
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
270.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.285g/mol
Monoisotopic Mass:
270.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
Literature
| Title | Journal |
|---|---|
| Action and timing of BacC and BacD in the late stages of biosynthesis of the dipeptide antibiotic bacilysin. | Biochemistry 20130205 |
| Stereochemical outcome at four stereogenic centers during conversion of prephenate to tetrahydrotyrosine by BacABGF in the bacilysin pathway. | Biochemistry 20120717 |
| Olefin isomerization regiochemistries during tandem action of BacA and BacB on prephenate in bacilysin biosynthesis. | Biochemistry 20120417 |
| 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 |
| Isolation and partial characterization of Bacillus subtilis ME488 for suppression of soilborne pathogens of cucumber and pepper. | Applied microbiology and biotechnology 20080801 |
| bac genes for recombinant bacilysin and anticapsin production in Bacillus host strains. | Archives of microbiology 20050201 |
| Guanine nucleotides guanosine 5'-diphosphate 3'-diphosphate and GTP co-operatively regulate the production of an antibiotic bacilysin in Bacillus subtilis. | The Journal of biological chemistry 20030124 |
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