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20846-39-3 | L-Phenylalanine, 3-iodo-
CAS No: 20846-39-3 Catalog No: AG002JQ2 MDL No:MFCD01860664
Product Description
Catalog Number:
AG002JQ2
Chemical Name:
L-Phenylalanine, 3-iodo-
CAS Number:
20846-39-3
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
MDL Number:
MFCD01860664
IUPAC Name:
(2S)-2-amino-3-(3-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChI Key:
BABTYIKKTLTNRX-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1cccc(c1)I)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.088g/mol
Monoisotopic Mass:
290.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease. | Bioorganic & medicinal chemistry letters 20051015 |
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