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153-97-9

153-97-9 | 2-Amino-3-(7-chloro-1H-indol-3-yl)propanoic acid

CAS No: 153-97-9 Catalog No: AG00389O MDL No:

Product Description

Catalog Number:
AG00389O
Chemical Name:
2-Amino-3-(7-chloro-1H-indol-3-yl)propanoic acid
CAS Number:
153-97-9
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
IUPAC Name:
2-amino-3-(7-chloro-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)
InChI Key:
DMQFGLHRDFQKNR-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)Cc1c[nH]c2c1cccc2Cl

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

Literature

Title Journal
Reengineering a tryptophan halogenase to preferentially chlorinate a direct alkaloid precursor. Journal of the American Chemical Society 20111207
Changing the regioselectivity of the tryptophan 7-halogenase PrnA by site-directed mutagenesis. Angewandte Chemie (International ed. in English) 20110321
Flavin redox chemistry precedes substrate chlorination during the reaction of the flavin-dependent halogenase RebH. Biochemistry 20060627
Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination. Science (New York, N.Y.) 20050930
Chemical inhibitor of nonapoptotic cell death with therapeutic potential for ischemic brain injury. Nature chemical biology 20050701

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