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87184-20-1 | L-Alanine, N-(3-fluoro-L-phenylalanyl)-
CAS No: 87184-20-1 Catalog No: AG004NL1 MDL No:
Product Description
Catalog Number:
AG004NL1
Chemical Name:
L-Alanine, N-(3-fluoro-L-phenylalanyl)-
CAS Number:
87184-20-1
Molecular Formula:
C12H15FN2O3
Molecular Weight:
254.2575
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-(3-fluorophenyl)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C12H15FN2O3/c1-7(12(17)18)15-11(16)10(14)6-8-3-2-4-9(13)5-8/h2-5,7,10H,6,14H2,1H3,(H,15,16)(H,17,18)/t7-,10-/m0/s1
InChI Key:
KFBSGKGCCTYHEQ-XVKPBYJWSA-N
SMILES:
O=C([C@H](Cc1cccc(c1)F)N)N[C@H](C(=O)O)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
254.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.261g/mol
Monoisotopic Mass:
254.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
Literature
| Title | Journal |
|---|---|
| Transport of antimicrobial agents using peptide carrier systems: anticandidal activity of m-fluorophenylalanine--peptide conjugates. | Journal of medicinal chemistry 19831201 |
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