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126581-82-6 | L-Proline, 1-[(5-bromo-3-pyridinyl)carbonyl]-
CAS No: 126581-82-6 Catalog No: AG000SYS MDL No:MFCD01309037
Product Description
Catalog Number:
AG000SYS
Chemical Name:
L-Proline, 1-[(5-bromo-3-pyridinyl)carbonyl]-
CAS Number:
126581-82-6
Molecular Formula:
C11H11BrN2O3
Molecular Weight:
299.1206
MDL Number:
MFCD01309037
IUPAC Name:
1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H11BrN2O3/c12-8-4-7(5-13-6-8)10(15)14-3-1-2-9(14)11(16)17/h4-6,9H,1-3H2,(H,16,17)
InChI Key:
UHULSHPYMBDAHB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)c1cncc(c1)Br
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.124g/mol
Monoisotopic Mass:
297.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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